(2S)-N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide

C25H32N2O2S — CID 7383213

IUPAC(2S)-N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)C2CC2)cc1
InChIInChI=1S/C25H32N2O2S/c1-17(2)18-9-11-19(12-10-18)24(25(29)26-20-6-3-4-7-20)27(21-13-14-21)23(28)16-22-8-5-15-30-22/h5,8-12,15,17,20-21,24H,3-4,6-7,13-14,16H2,1-2H3,(H,26,29)/t24-/m0/s1
InChIKeyDIDSTWGTJQXCBC-DEOSSOPVSA-N
MW424.61 g/mol
LogP5.21
Rot. Bonds8

About (2S)-N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide

(2S)-N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 7383213) has the molecular formula C25H32N2O2S and a molecular weight of 424.61 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide
PubChem CID7383213
Molecular FormulaC25H32N2O2S
Molecular Weight424.61 g/mol
Exact Mass424.22
IUPAC Name(2S)-N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)C2CC2)cc1
InChIInChI=1S/C25H32N2O2S/c1-17(2)18-9-11-19(12-10-18)24(25(29)26-20-6-3-4-7-20)27(21-13-14-21)23(28)16-22-8-5-15-30-22/h5,8-12,15,17,20-21,24H,3-4,6-7,13-14,16H2,1-2H3,(H,26,29)/t24-/m0/s1
InChIKeyDIDSTWGTJQXCBC-DEOSSOPVSA-N
XLogP5.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.61
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3202881
methyl 4-[(1R)-2-(cyclohexylamino)-1-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-oxoethyl]benzoate
CID 40836489
N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(3-methoxyphenyl)acetamide
CID 3202678
N-cyclohexyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(3-methylthiophen-2-yl)acetamide
CID 652619
(2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide
CID 1441603
(2R)-N-cyclohexyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(2,4-dimethoxyphenyl)acetamide
CID 25310056
N-cyclopentyl-2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202874
N-cyclopentyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide
CID 7145221
N-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3202956
N-cyclopentyl-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-ethylphenyl)acetamide
CID 3202875
(2R)-N-cyclohexyl-2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 1167840
2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 3202897

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of (2S)-N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide (CID 7383213) is (2S)-N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)C2CC2)cc1.
What is the InChIKey of (2S)-N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide?
The InChIKey is DIDSTWGTJQXCBC-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H32N2O2S/c1-17(2)18-9-11-19(12-10-18)24(25(29)26-20-6-3-4-7-20)27(21-13-14-21)23(28)16-22-8-5-15-30-22/h5,8-12,15,17,20-21,24H,3-4,6-7,13-14,16H2,1-2H3,(H,26,29)/t24-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide?
(2S)-N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 424.61 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 7383213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).