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

C28H30N2O4S — CID 3202734

IUPAC2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(C(C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C28H30N2O4S/c1-19(31)20-9-13-23(14-10-20)30(26(32)18-25-8-5-17-35-25)27(21-11-15-24(34-2)16-12-21)28(33)29-22-6-3-4-7-22/h5,8-17,22,27H,3-4,6-7,18H2,1-2H3,(H,29,33)
InChIKeyAUJNUHNKLFTVIQ-UHFFFAOYSA-N
MW490.63 g/mol
LogP5.34
Rot. Bonds9

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

2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide (PubChem CID 3202734) has the molecular formula C28H30N2O4S and a molecular weight of 490.63 g/mol. Its IUPAC name is 2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
PubChem CID3202734
Molecular FormulaC28H30N2O4S
Molecular Weight490.63 g/mol
Exact Mass490.19
IUPAC Name2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(C(C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C28H30N2O4S/c1-19(31)20-9-13-23(14-10-20)30(26(32)18-25-8-5-17-35-25)27(21-11-15-24(34-2)16-12-21)28(33)29-22-6-3-4-7-22/h5,8-17,22,27H,3-4,6-7,18H2,1-2H3,(H,29,33)
InChIKeyAUJNUHNKLFTVIQ-UHFFFAOYSA-N
XLogP5.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.63
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-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
2-(4-acetamido-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 3184889
N-cyclopentyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
CID 3202593
methyl 4-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-(2-thiophen-2-ylacetyl)amino]benzoate
CID 3184916
(2R)-N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide
CID 1168242
2-(2-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
CID 3202731
(2R)-N-cyclohexyl-2-(3,5-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide
CID 1168246
N-cyclohexyl-2-(4-methoxyphenyl)-2-[quinolin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3184897
2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 3202898

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide (CID 3202734) is 2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide is COc1ccc(C(C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide?
The InChIKey is AUJNUHNKLFTVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4S/c1-19(31)20-9-13-23(14-10-20)30(26(32)18-25-8-5-17-35-25)27(21-11-15-24(34-2)16-12-21)28(33)29-22-6-3-4-7-22/h5,8-17,22,27H,3-4,6-7,18H2,1-2H3,(H,29,33).
What are the key properties of 2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide?
2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide has a molecular weight of 490.63 g/mol, XLogP of 5.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 3202734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).