2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methylphenyl)acetamide

C28H30N2O3S — CID 3202898

IUPAC2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methylphenyl)acetamide
SMILESCC(=O)c1cccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccc(C)cc2)c1
InChIInChI=1S/C28H30N2O3S/c1-19-12-14-21(15-13-19)27(28(33)29-23-8-3-4-9-23)30(26(32)18-25-11-6-16-34-25)24-10-5-7-22(17-24)20(2)31/h5-7,10-17,23,27H,3-4,8-9,18H2,1-2H3,(H,29,33)
InChIKeyWTWINQOLHWHNLE-UHFFFAOYSA-N
MW474.63 g/mol
LogP5.63
Rot. Bonds8

About 2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methylphenyl)acetamide

2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methylphenyl)acetamide (PubChem CID 3202898) has the molecular formula C28H30N2O3S and a molecular weight of 474.63 g/mol. Its IUPAC name is 2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methylphenyl)acetamide
PubChem CID3202898
Molecular FormulaC28H30N2O3S
Molecular Weight474.63 g/mol
Exact Mass474.20
IUPAC Name2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methylphenyl)acetamide
SMILESCC(=O)c1cccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccc(C)cc2)c1
InChIInChI=1S/C28H30N2O3S/c1-19-12-14-21(15-13-19)27(28(33)29-23-8-3-4-9-23)30(26(32)18-25-11-6-16-34-25)24-10-5-7-22(17-24)20(2)31/h5-7,10-17,23,27H,3-4,8-9,18H2,1-2H3,(H,29,33)
InChIKeyWTWINQOLHWHNLE-UHFFFAOYSA-N
XLogP5.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.63
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 40580851
2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 3202897
2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
CID 3202455
(2S)-N-cyclohexyl-2-(4-hydroxyphenyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1168238
2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-(4-methylphenyl)acetamide
CID 3190974
2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
CID 3202734
N-cyclopentyl-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202613
N-cyclohexyl-2-(3-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
CID 3191107
2-(4-chlorophenyl)-N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202553
N-cyclopentyl-2-pyridin-4-yl-2-(2,4,6-trimethyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202608
N-cyclopentyl-2-(3-methoxyphenyl)-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202705
2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 3191007

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methylphenyl)acetamide (CID 3202898) is 2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methylphenyl)acetamide is CC(=O)c1cccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccc(C)cc2)c1.
What is the InChIKey of 2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methylphenyl)acetamide?
The InChIKey is WTWINQOLHWHNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O3S/c1-19-12-14-21(15-13-19)27(28(33)29-23-8-3-4-9-23)30(26(32)18-25-11-6-16-34-25)24-10-5-7-22(17-24)20(2)31/h5-7,10-17,23,27H,3-4,8-9,18H2,1-2H3,(H,29,33).
What are the key properties of 2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methylphenyl)acetamide?
2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methylphenyl)acetamide has a molecular weight of 474.63 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 3202898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).