N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide

C27H30N2O3S — CID 3202922

IUPACN-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
SMILESCOc1cccc(CN(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccccc2)c1
InChIInChI=1S/C27H30N2O3S/c1-32-23-14-7-9-20(17-23)19-29(25(30)18-24-15-8-16-33-24)26(21-10-3-2-4-11-21)27(31)28-22-12-5-6-13-22/h2-4,7-11,14-17,22,26H,5-6,12-13,18-19H2,1H3,(H,28,31)
InChIKeyOXQFDFYVKNRQMV-UHFFFAOYSA-N
MW462.62 g/mol
LogP5.13
Rot. Bonds9

About N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide

N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide (PubChem CID 3202922) has the molecular formula C27H30N2O3S and a molecular weight of 462.62 g/mol. Its IUPAC name is N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
PubChem CID3202922
Molecular FormulaC27H30N2O3S
Molecular Weight462.62 g/mol
Exact Mass462.20
IUPAC NameN-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
SMILESCOc1cccc(CN(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccccc2)c1
InChIInChI=1S/C27H30N2O3S/c1-32-23-14-7-9-20(17-23)19-29(25(30)18-24-15-8-16-33-24)26(21-10-3-2-4-11-21)27(31)28-22-12-5-6-13-22/h2-4,7-11,14-17,22,26H,5-6,12-13,18-19H2,1H3,(H,28,31)
InChIKeyOXQFDFYVKNRQMV-UHFFFAOYSA-N
XLogP5.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.62
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide
CID 3745052
N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(5-methylfuran-2-yl)acetamide
CID 3202441
(2R)-N-cyclohexyl-2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 1167840
N-cyclohexyl-2-(1H-indol-3-yl)-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3191185
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(4-ethoxyphenyl)acetamide
CID 3202675
N-cyclopentyl-2-(3-methoxyphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202719
N-cyclopentyl-2-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202729
N-cyclopentyl-2-(4-methoxyphenyl)-2-[2-phenylethyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202722
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-4-ylacetamide
CID 3191114
N-cyclohexyl-2-(4-methoxyphenyl)-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3184904
N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(3-methoxyphenyl)acetamide
CID 3202678
N-cyclopentyl-2-(3-methoxyphenyl)-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202705

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide?
The IUPAC name of N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide (CID 3202922) is N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide?
The canonical SMILES for N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide is COc1cccc(CN(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccccc2)c1.
What is the InChIKey of N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide?
The InChIKey is OXQFDFYVKNRQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3S/c1-32-23-14-7-9-20(17-23)19-29(25(30)18-24-15-8-16-33-24)26(21-10-3-2-4-11-21)27(31)28-22-12-5-6-13-22/h2-4,7-11,14-17,22,26H,5-6,12-13,18-19H2,1H3,(H,28,31).
What are the key properties of N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide?
N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide has a molecular weight of 462.62 g/mol, XLogP of 5.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide is sourced from PubChem (CID 3202922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).