(2R)-2-[(7-chloro-2-methylidene-1H-quinolin-6-yl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide;ethyl 2-[[(2R)-2-[(7-chloro-2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-[2-(4-oxopentoxy)phenyl]acetyl]-(thiophen-2-ylmethyl)amino]acetate;ethyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(7-methyl-2-methylidene-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate

C89H94Cl2N10O20S6 — CID 163523503

IUPAC(2R)-2-[(7-chloro-2-methylidene-1H-quinolin-6-yl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide;ethyl 2-[[(2R)-2-[(7-chloro-2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-[2-(4-oxopentoxy)phenyl]acetyl]-(thiophen-2-ylmethyl)amino]acetate;ethyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(7-methyl-2-methylidene-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate
SMILESC=C1C=Cc2cc(S(=O)(=O)N[C@@H](C(=O)N(CC(=O)NCCOC)Cc3cccs3)c3ccccc3OC)c(Cl)cc2N1.C=C1C=Cc2cc(S(=O)(=O)N[C@@H](C(=O)N(CC(=O)OCC)Cc3cccs3)c3ccccc3OC)c(C)cc2N1.CCOC(=O)CN(Cc1cccs1)C(=O)[C@H](NS(=O)(=O)c1cc2ccc(=O)[nH]c2cc1Cl)c1ccccc1OCCCC(C)=O
InChIInChI=1S/C31H32ClN3O8S2.C29H31ClN4O6S2.C29H31N3O6S2/c1-3-42-29(38)19-35(18-22-9-7-15-44-22)31(39)30(23-10-4-5-11-26(23)43-14-6-8-20(2)36)34-45(40,41)27-16-21-12-13-28(37)33-25(21)17-24(27)32;1-19-10-11-20-15-26(23(30)16-24(20)32-19)42(37,38)33-28(22-8-4-5-9-25(22)40-3)29(36)34(17-21-7-6-14-41-21)18-27(35)31-12-13-39-2;1-5-38-27(33)18-32(17-22-9-8-14-39-22)29(34)28(23-10-6-7-11-25(23)37-4)31-40(35,36)26-16-21-13-12-20(3)30-24(21)15-19(26)2/h4-5,7,9-13,15-17,30,34H,3,6,8,14,18-19H2,1-2H3,(H,33,37);4-11,14-16,28,32-33H,1,12-13,17-18H2,2-3H3,(H,31,35);6-16,28,30-31H,3,5,17-18H2,1-2,4H3/t30-;2*28-/m111/s1
InChIKeyDMVGMKPBZILIDI-QWHFJJEFSA-N
MW1887.09 g/mol
LogP13.41
Rot. Bonds39

About (2R)-2-[(7-chloro-2-methylidene-1H-quinolin-6-yl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide;ethyl 2-[[(2R)-2-[(7-chloro-2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-[2-(4-oxopentoxy)phenyl]acetyl]-(thiophen-2-ylmethyl)amino]acetate;ethyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(7-methyl-2-methylidene-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate

(2R)-2-[(7-chloro-2-methylidene-1H-quinolin-6-yl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide;ethyl 2-[[(2R)-2-[(7-chloro-2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-[2-(4-oxopentoxy)phenyl]acetyl]-(thiophen-2-ylmethyl)amino]acetate;ethyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(7-methyl-2-methylidene-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate (PubChem CID 163523503) has the molecular formula C89H94Cl2N10O20S6 and a molecular weight of 1887.09 g/mol. Its IUPAC name is (2R)-2-[(7-chloro-2-methylidene-1H-quinolin-6-yl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide;ethyl 2-[[(2R)-2-[(7-chloro-2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-[2-(4-oxopentoxy)phenyl]acetyl]-(thiophen-2-ylmethyl)amino]acetate;ethyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(7-methyl-2-methylidene-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate.

Molecular Properties

Compound Name(2R)-2-[(7-chloro-2-methylidene-1H-quinolin-6-yl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide;ethyl 2-[[(2R)-2-[(7-chloro-2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-[2-(4-oxopentoxy)phenyl]acetyl]-(thiophen-2-ylmethyl)amino]acetate;ethyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(7-methyl-2-methylidene-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate
PubChem CID163523503
Molecular FormulaC89H94Cl2N10O20S6
Molecular Weight1887.09 g/mol
Exact Mass1884.43
IUPAC Name(2R)-2-[(7-chloro-2-methylidene-1H-quinolin-6-yl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide;ethyl 2-[[(2R)-2-[(7-chloro-2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-[2-(4-oxopentoxy)phenyl]acetyl]-(thiophen-2-ylmethyl)amino]acetate;ethyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(7-methyl-2-methylidene-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate
SMILESC=C1C=Cc2cc(S(=O)(=O)N[C@@H](C(=O)N(CC(=O)NCCOC)Cc3cccs3)c3ccccc3OC)c(Cl)cc2N1.C=C1C=Cc2cc(S(=O)(=O)N[C@@H](C(=O)N(CC(=O)OCC)Cc3cccs3)c3ccccc3OC)c(C)cc2N1.CCOC(=O)CN(Cc1cccs1)C(=O)[C@H](NS(=O)(=O)c1cc2ccc(=O)[nH]c2cc1Cl)c1ccccc1OCCCC(C)=O
InChIInChI=1S/C31H32ClN3O8S2.C29H31ClN4O6S2.C29H31N3O6S2/c1-3-42-29(38)19-35(18-22-9-7-15-44-22)31(39)30(23-10-4-5-11-26(23)43-14-6-8-20(2)36)34-45(40,41)27-16-21-12-13-28(37)33-25(21)17-24(27)32;1-19-10-11-20-15-26(23(30)16-24(20)32-19)42(37,38)33-28(22-8-4-5-9-25(22)40-3)29(36)34(17-21-7-6-14-41-21)18-27(35)31-12-13-39-2;1-5-38-27(33)18-32(17-22-9-8-14-39-22)29(34)28(23-10-6-7-11-25(23)37-4)31-40(35,36)26-16-21-13-12-20(3)30-24(21)15-19(26)2/h4-5,7,9-13,15-17,30,34H,3,6,8,14,18-19H2,1-2H3,(H,33,37);4-11,14-16,28,32-33H,1,12-13,17-18H2,2-3H3,(H,31,35);6-16,28,30-31H,3,5,17-18H2,1-2,4H3/t30-;2*28-/m111/s1
InChIKeyDMVGMKPBZILIDI-QWHFJJEFSA-N
XLogP13.41
TPSA392.05 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds39
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001887.09
LogP ≤ 513.41
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-2-[(7-chloro-2-methylidene-1H-quinolin-6-yl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide;ethyl 2-[[(2R)-2-[(7-chloro-2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-[2-(4-oxopentoxy)phenyl]acetyl]-(thiophen-2-ylmethyl)amino]acetate;ethyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(7-methyl-2-methylidene-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate with MolForge

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Related Compounds

ethyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(7-methyl-2-methylidene-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate
CID 163523504
ethyl 4-[2-[2-[(2-ethoxy-2-oxoethyl)-(thiophen-2-ylmethyl)amino]-2-oxo-1-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]ethyl]phenoxy]butanoate
CID 146425424
ethyl 1-[[2-[(1R)-2-[(2-ethoxy-2-oxoethyl)-(thiophen-2-ylmethyl)amino]-2-oxo-1-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]ethyl]phenoxy]methyl]cyclopropane-1-carboxylate
CID 166830843
2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;ethyl 2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate;(2R)-N-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide;2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid;methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate
CID 163977990
ethyl 4-[2-[2-[(3-methyl-2-oxobutyl)-(thiophen-2-ylmethyl)amino]-2-oxo-1-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]ethyl]phenoxy]butanoate;molecular hydrogen
CID 178107653
methyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate
CID 146014494
2-[[(2R)-2-(2-butoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetic acid
CID 163977991
1-[[2-[(1R)-2-[carboxymethyl(thiophen-2-ylmethyl)amino]-2-oxo-1-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]ethyl]phenoxy]methyl]cyclopropane-1-carboxylic acid
CID 162476872
(2S)-N-ethyl-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-(2-propoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 162476878
carbon dioxide;(2S)-N-ethyl-2-(2-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 163751200
(2S)-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)-2-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 129227612
ethyl 3-(2-chlorophenyl)-3-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]propanoate
CID 4018331

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(7-chloro-2-methylidene-1H-quinolin-6-yl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide;ethyl 2-[[(2R)-2-[(7-chloro-2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-[2-(4-oxopentoxy)phenyl]acetyl]-(thiophen-2-ylmethyl)amino]acetate;ethyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(7-methyl-2-methylidene-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate?
The IUPAC name of (2R)-2-[(7-chloro-2-methylidene-1H-quinolin-6-yl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide;ethyl 2-[[(2R)-2-[(7-chloro-2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-[2-(4-oxopentoxy)phenyl]acetyl]-(thiophen-2-ylmethyl)amino]acetate;ethyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(7-methyl-2-methylidene-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate (CID 163523503) is (2R)-2-[(7-chloro-2-methylidene-1H-quinolin-6-yl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide;ethyl 2-[[(2R)-2-[(7-chloro-2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-[2-(4-oxopentoxy)phenyl]acetyl]-(thiophen-2-ylmethyl)amino]acetate;ethyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(7-methyl-2-methylidene-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate.
What is the SMILES notation for (2R)-2-[(7-chloro-2-methylidene-1H-quinolin-6-yl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide;ethyl 2-[[(2R)-2-[(7-chloro-2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-[2-(4-oxopentoxy)phenyl]acetyl]-(thiophen-2-ylmethyl)amino]acetate;ethyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(7-methyl-2-methylidene-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate?
The canonical SMILES for (2R)-2-[(7-chloro-2-methylidene-1H-quinolin-6-yl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide;ethyl 2-[[(2R)-2-[(7-chloro-2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-[2-(4-oxopentoxy)phenyl]acetyl]-(thiophen-2-ylmethyl)amino]acetate;ethyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(7-methyl-2-methylidene-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate is C=C1C=Cc2cc(S(=O)(=O)N[C@@H](C(=O)N(CC(=O)NCCOC)Cc3cccs3)c3ccccc3OC)c(Cl)cc2N1.C=C1C=Cc2cc(S(=O)(=O)N[C@@H](C(=O)N(CC(=O)OCC)Cc3cccs3)c3ccccc3OC)c(C)cc2N1.CCOC(=O)CN(Cc1cccs1)C(=O)[C@H](NS(=O)(=O)c1cc2ccc(=O)[nH]c2cc1Cl)c1ccccc1OCCCC(C)=O.
What is the InChIKey of (2R)-2-[(7-chloro-2-methylidene-1H-quinolin-6-yl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide;ethyl 2-[[(2R)-2-[(7-chloro-2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-[2-(4-oxopentoxy)phenyl]acetyl]-(thiophen-2-ylmethyl)amino]acetate;ethyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(7-methyl-2-methylidene-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate?
The InChIKey is DMVGMKPBZILIDI-QWHFJJEFSA-N. The full InChI is InChI=1S/C31H32ClN3O8S2.C29H31ClN4O6S2.C29H31N3O6S2/c1-3-42-29(38)19-35(18-22-9-7-15-44-22)31(39)30(23-10-4-5-11-26(23)43-14-6-8-20(2)36)34-45(40,41)27-16-21-12-13-28(37)33-25(21)17-24(27)32;1-19-10-11-20-15-26(23(30)16-24(20)32-19)42(37,38)33-28(22-8-4-5-9-25(22)40-3)29(36)34(17-21-7-6-14-41-21)18-27(35)31-12-13-39-2;1-5-38-27(33)18-32(17-22-9-8-14-39-22)29(34)28(23-10-6-7-11-25(23)37-4)31-40(35,36)26-16-21-13-12-20(3)30-24(21)15-19(26)2/h4-5,7,9-13,15-17,30,34H,3,6,8,14,18-19H2,1-2H3,(H,33,37);4-11,14-16,28,32-33H,1,12-13,17-18H2,2-3H3,(H,31,35);6-16,28,30-31H,3,5,17-18H2,1-2,4H3/t30-;2*28-/m111/s1.
What are the key properties of (2R)-2-[(7-chloro-2-methylidene-1H-quinolin-6-yl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide;ethyl 2-[[(2R)-2-[(7-chloro-2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-[2-(4-oxopentoxy)phenyl]acetyl]-(thiophen-2-ylmethyl)amino]acetate;ethyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(7-methyl-2-methylidene-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate?
(2R)-2-[(7-chloro-2-methylidene-1H-quinolin-6-yl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide;ethyl 2-[[(2R)-2-[(7-chloro-2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-[2-(4-oxopentoxy)phenyl]acetyl]-(thiophen-2-ylmethyl)amino]acetate;ethyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(7-methyl-2-methylidene-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate has a molecular weight of 1887.09 g/mol, XLogP of 13.41, 39 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(7-chloro-2-methylidene-1H-quinolin-6-yl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide;ethyl 2-[[(2R)-2-[(7-chloro-2-oxo-1H-quinolin-6-yl)sulfonylamino]-2-[2-(4-oxopentoxy)phenyl]acetyl]-(thiophen-2-ylmethyl)amino]acetate;ethyl 2-[[(2R)-2-(2-methoxyphenyl)-2-[(7-methyl-2-methylidene-1H-quinolin-6-yl)sulfonylamino]acetyl]-(thiophen-2-ylmethyl)amino]acetate is sourced from PubChem (CID 163523503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).