(2R)-N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3-methoxyphenyl)acetamide

C30H33N3O3S — CID 25309037

IUPAC(2R)-N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C30H33N3O3S/c1-36-24-12-7-9-21(17-24)29(30(35)32-23-10-3-2-4-11-23)33(20-25-13-8-16-37-25)28(34)18-22-19-31-27-15-6-5-14-26(22)27/h5-9,12-17,19,23,29,31H,2-4,10-11,18,20H2,1H3,(H,32,35)/t29-/m1/s1
InChIKeyAQCDZTFRYYRGQX-GDLZYMKVSA-N
MW515.68 g/mol
LogP6.00
Rot. Bonds9

About (2R)-N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3-methoxyphenyl)acetamide

(2R)-N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3-methoxyphenyl)acetamide (PubChem CID 25309037) has the molecular formula C30H33N3O3S and a molecular weight of 515.68 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3-methoxyphenyl)acetamide
PubChem CID25309037
Molecular FormulaC30H33N3O3S
Molecular Weight515.68 g/mol
Exact Mass515.22
IUPAC Name(2R)-N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C30H33N3O3S/c1-36-24-12-7-9-21(17-24)29(30(35)32-23-10-3-2-4-11-23)33(20-25-13-8-16-37-25)28(34)18-22-19-31-27-15-6-5-14-26(22)27/h5-9,12-17,19,23,29,31H,2-4,10-11,18,20H2,1H3,(H,32,35)/t29-/m1/s1
InChIKeyAQCDZTFRYYRGQX-GDLZYMKVSA-N
XLogP6.00
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.68
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]acetamide
CID 3190776
(2R)-N-cyclohexyl-2-[4-(dimethylamino)phenyl]-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]acetamide
CID 25309081
N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]acetamide
CID 3201979
N-cyclohexyl-2-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3191185
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 98099116
N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3-methoxyanilino)-2-(3-methoxyphenyl)acetamide
CID 3190799
N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3202922
(2R)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methoxyanilino)-2-(3-methoxyphenyl)acetamide
CID 25309029
(2R)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(3-methoxyphenyl)methyl]amino]acetamide
CID 98097762
(2S)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3,4-dimethoxyanilino)-2-(3-methoxyphenyl)acetamide
CID 98097673
(2R)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3,4-dimethoxyanilino)-2-(3-methoxyphenyl)acetamide
CID 98097675
N-cyclohexyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide
CID 3190749

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3-methoxyphenyl)acetamide (CID 25309037) is (2R)-N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3-methoxyphenyl)acetamide is COc1cccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)Cc2c[nH]c3ccccc23)c1.
What is the InChIKey of (2R)-N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3-methoxyphenyl)acetamide?
The InChIKey is AQCDZTFRYYRGQX-GDLZYMKVSA-N. The full InChI is InChI=1S/C30H33N3O3S/c1-36-24-12-7-9-21(17-24)29(30(35)32-23-10-3-2-4-11-23)33(20-25-13-8-16-37-25)28(34)18-22-19-31-27-15-6-5-14-26(22)27/h5-9,12-17,19,23,29,31H,2-4,10-11,18,20H2,1H3,(H,32,35)/t29-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3-methoxyphenyl)acetamide?
(2R)-N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3-methoxyphenyl)acetamide has a molecular weight of 515.68 g/mol, XLogP of 6.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 25309037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).