[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate

C20H22ClN3O7S2 — CID 3963140

IUPAC[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)s1
InChIInChI=1S/C20H22ClN3O7S2/c1-13-2-5-17(32-13)20(27)22-11-19(26)31-12-18(25)23-16-10-14(3-4-15(16)21)33(28,29)24-6-8-30-9-7-24/h2-5,10H,6-9,11-12H2,1H3,(H,22,27)(H,23,25)
InChIKeySSMZHVYBWAVLIR-UHFFFAOYSA-N
MW516.00 g/mol
LogP1.64
Rot. Bonds8

About [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate

[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate (PubChem CID 3963140) has the molecular formula C20H22ClN3O7S2 and a molecular weight of 516.00 g/mol. Its IUPAC name is [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
PubChem CID3963140
Molecular FormulaC20H22ClN3O7S2
Molecular Weight516.00 g/mol
Exact Mass515.06
IUPAC Name[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)s1
InChIInChI=1S/C20H22ClN3O7S2/c1-13-2-5-17(32-13)20(27)22-11-19(26)31-12-18(25)23-16-10-14(3-4-15(16)21)33(28,29)24-6-8-30-9-7-24/h2-5,10H,6-9,11-12H2,1H3,(H,22,27)(H,23,25)
InChIKeySSMZHVYBWAVLIR-UHFFFAOYSA-N
XLogP1.64
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.00
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate with MolForge

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Related Compounds

[2-(2-Chloroanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 4003394
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
CID 4093593
N-(2-Chlorophenyl)-4-(morpholine-4-sulfonyl)thiophene-2-carboxamide
CID 1312252
N-(2-((2-chloro-5-(N-(4-chlorophenyl)sulfamoyl)phenyl)amino)-2-oxoethyl)-5-methylthiophene-2-carboxamide
CID 4848431
5-chloro-N-(4-(morpholinosulfonyl)phenyl)thiophene-2-carboxamide
CID 2147582
[2-(2-Chloro-5-methylsulfonylanilino)-2-oxoethyl] 2-benzamidoacetate
CID 2438292
[2-(2-Chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 3893296
[2-(2-Chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-(benzenesulfonyl)propanoate
CID 24980391
5-chloro-N-[(2S)-2-[[2-chloro-3-(3-oxomorpholin-4-yl)phenyl]sulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 72792747
[2-(2-Chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 4081876
N-(2-chloro-5-methylsulfonylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 16318473
[2-[2-Chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 3975175

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The IUPAC name of [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate (CID 3963140) is [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate.
What is the SMILES notation for [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The canonical SMILES for [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate is Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)s1.
What is the InChIKey of [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The InChIKey is SSMZHVYBWAVLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O7S2/c1-13-2-5-17(32-13)20(27)22-11-19(26)31-12-18(25)23-16-10-14(3-4-15(16)21)33(28,29)24-6-8-30-9-7-24/h2-5,10H,6-9,11-12H2,1H3,(H,22,27)(H,23,25).
What are the key properties of [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
[2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate has a molecular weight of 516.00 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate is sourced from PubChem (CID 3963140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).