2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-chlorophenyl)-N-cyclopentylacetamide

C27H27ClN2O3S — CID 3202565

IUPAC2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-chlorophenyl)-N-cyclopentylacetamide
SMILESCC(=O)c1ccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccccc2Cl)cc1
InChIInChI=1S/C27H27ClN2O3S/c1-18(31)19-12-14-21(15-13-19)30(25(32)17-22-9-6-16-34-22)26(23-10-4-5-11-24(23)28)27(33)29-20-7-2-3-8-20/h4-6,9-16,20,26H,2-3,7-8,17H2,1H3,(H,29,33)
InChIKeyUYXFKUDYMLUFJG-UHFFFAOYSA-N
MW495.04 g/mol
LogP5.98
Rot. Bonds8

About 2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-chlorophenyl)-N-cyclopentylacetamide

2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-chlorophenyl)-N-cyclopentylacetamide (PubChem CID 3202565) has the molecular formula C27H27ClN2O3S and a molecular weight of 495.04 g/mol. Its IUPAC name is 2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-chlorophenyl)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-chlorophenyl)-N-cyclopentylacetamide
PubChem CID3202565
Molecular FormulaC27H27ClN2O3S
Molecular Weight495.04 g/mol
Exact Mass494.14
IUPAC Name2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-chlorophenyl)-N-cyclopentylacetamide
SMILESCC(=O)c1ccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccccc2Cl)cc1
InChIInChI=1S/C27H27ClN2O3S/c1-18(31)19-12-14-21(15-13-19)30(25(32)17-22-9-6-16-34-22)26(23-10-4-5-11-24(23)28)27(33)29-20-7-2-3-8-20/h4-6,9-16,20,26H,2-3,7-8,17H2,1H3,(H,29,33)
InChIKeyUYXFKUDYMLUFJG-UHFFFAOYSA-N
XLogP5.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.04
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 3202897
2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
CID 3202734
methyl 4-[[2-(cyclopentylamino)-1-(2-methylphenyl)-2-oxoethyl]-(2-thiophen-2-ylacetyl)amino]benzoate
CID 3202850
N-cyclopentyl-2-(2-fluorophenyl)-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202828
methyl 4-[[(1R)-2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-(2-thiophen-2-ylacetyl)amino]benzoate
CID 25309584
2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 3191007
(2S)-2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 25309791
2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 56645149
(2S)-2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-pyridin-4-ylacetamide
CID 1436017
2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 3202898
N-cyclopentyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide
CID 3202859
(2R)-N-cyclopentyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide
CID 1435964

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-chlorophenyl)-N-cyclopentylacetamide?
The IUPAC name of 2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-chlorophenyl)-N-cyclopentylacetamide (CID 3202565) is 2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-chlorophenyl)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-chlorophenyl)-N-cyclopentylacetamide?
The canonical SMILES for 2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-chlorophenyl)-N-cyclopentylacetamide is CC(=O)c1ccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccccc2Cl)cc1.
What is the InChIKey of 2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-chlorophenyl)-N-cyclopentylacetamide?
The InChIKey is UYXFKUDYMLUFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN2O3S/c1-18(31)19-12-14-21(15-13-19)30(25(32)17-22-9-6-16-34-22)26(23-10-4-5-11-24(23)28)27(33)29-20-7-2-3-8-20/h4-6,9-16,20,26H,2-3,7-8,17H2,1H3,(H,29,33).
What are the key properties of 2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-chlorophenyl)-N-cyclopentylacetamide?
2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-chlorophenyl)-N-cyclopentylacetamide has a molecular weight of 495.04 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-chlorophenyl)-N-cyclopentylacetamide is sourced from PubChem (CID 3202565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).