2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(3-methoxyphenyl)acetamide

C26H27ClN2O3S — CID 3202697

IUPAC2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(C(C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C26H27ClN2O3S/c1-32-22-9-4-6-18(16-22)25(26(31)28-20-7-2-3-8-20)29(21-13-11-19(27)12-14-21)24(30)17-23-10-5-15-33-23/h4-6,9-16,20,25H,2-3,7-8,17H2,1H3,(H,28,31)
InChIKeyZOBBFRKXTCZFCE-UHFFFAOYSA-N
MW483.03 g/mol
LogP5.79
Rot. Bonds8

About 2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(3-methoxyphenyl)acetamide

2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(3-methoxyphenyl)acetamide (PubChem CID 3202697) has the molecular formula C26H27ClN2O3S and a molecular weight of 483.03 g/mol. Its IUPAC name is 2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(3-methoxyphenyl)acetamide
PubChem CID3202697
Molecular FormulaC26H27ClN2O3S
Molecular Weight483.03 g/mol
Exact Mass482.14
IUPAC Name2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(C(C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C26H27ClN2O3S/c1-32-22-9-4-6-18(16-22)25(26(31)28-20-7-2-3-8-20)29(21-13-11-19(27)12-14-21)24(30)17-23-10-5-15-33-23/h4-6,9-16,20,25H,2-3,7-8,17H2,1H3,(H,28,31)
InChIKeyZOBBFRKXTCZFCE-UHFFFAOYSA-N
XLogP5.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.03
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(3-methoxyphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202719
2-(4-chlorophenyl)-N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202553
N-cyclopentyl-2-(3-methoxyphenyl)-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202705
2-(4-chlorophenyl)-N-cyclopentyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202552
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
(2R)-2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 25309769
N-cyclopentyl-2-(3-methoxyphenyl)-2-(2-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202708
N-cyclopentyl-2-(2-methoxy-5-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(3-methoxyphenyl)acetamide
CID 3202707
(2S)-N-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1167775
N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(3-methoxyphenyl)acetamide
CID 3202678
(2S)-2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-pyridin-4-ylacetamide
CID 1436017

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(3-methoxyphenyl)acetamide (CID 3202697) is 2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(3-methoxyphenyl)acetamide is COc1cccc(C(C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(3-methoxyphenyl)acetamide?
The InChIKey is ZOBBFRKXTCZFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O3S/c1-32-22-9-4-6-18(16-22)25(26(31)28-20-7-2-3-8-20)29(21-13-11-19(27)12-14-21)24(30)17-23-10-5-15-33-23/h4-6,9-16,20,25H,2-3,7-8,17H2,1H3,(H,28,31).
What are the key properties of 2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(3-methoxyphenyl)acetamide?
2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(3-methoxyphenyl)acetamide has a molecular weight of 483.03 g/mol, XLogP of 5.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 3202697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).