(2S)-N-cyclohexyl-2-(2,5-dimethyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide

C28H32N2O2S — CID 25314421

IUPAC(2S)-N-cyclohexyl-2-(2,5-dimethyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide
SMILESCc1ccc(C)c(N(C(=O)Cc2ccsc2)[C@H](C(=O)NC2CCCCC2)c2ccccc2)c1
InChIInChI=1S/C28H32N2O2S/c1-20-13-14-21(2)25(17-20)30(26(31)18-22-15-16-33-19-22)27(23-9-5-3-6-10-23)28(32)29-24-11-7-4-8-12-24/h3,5-6,9-10,13-17,19,24,27H,4,7-8,11-12,18H2,1-2H3,(H,29,32)/t27-/m0/s1
InChIKeyBKUZEFLVACWPEN-MHZLTWQESA-N
MW460.64 g/mol
LogP6.13
Rot. Bonds7

About (2S)-N-cyclohexyl-2-(2,5-dimethyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide

(2S)-N-cyclohexyl-2-(2,5-dimethyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide (PubChem CID 25314421) has the molecular formula C28H32N2O2S and a molecular weight of 460.64 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-(2,5-dimethyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-(2,5-dimethyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide
PubChem CID25314421
Molecular FormulaC28H32N2O2S
Molecular Weight460.64 g/mol
Exact Mass460.22
IUPAC Name(2S)-N-cyclohexyl-2-(2,5-dimethyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide
SMILESCc1ccc(C)c(N(C(=O)Cc2ccsc2)[C@H](C(=O)NC2CCCCC2)c2ccccc2)c1
InChIInChI=1S/C28H32N2O2S/c1-20-13-14-21(2)25(17-20)30(26(31)18-22-15-16-33-19-22)27(23-9-5-3-6-10-23)28(32)29-24-11-7-4-8-12-24/h3,5-6,9-10,13-17,19,24,27H,4,7-8,11-12,18H2,1-2H3,(H,29,32)/t27-/m0/s1
InChIKeyBKUZEFLVACWPEN-MHZLTWQESA-N
XLogP6.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.64
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(2-methoxy-5-methyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide
CID 3215267
N-cyclohexyl-2-phenyl-2-[pyridin-3-yl-(2-thiophen-3-ylacetyl)amino]acetamide
CID 3215262
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 25410432
(2S)-2-[benzyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 1457715
2-[1,3-benzodioxol-5-yl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 3215250
N-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3202956
2-(5-chloro-N-(2-chloroacetyl)-2-methylanilino)-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 4230737
(2S)-N-cyclohexyl-2-(4-hydroxyphenyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1168238
(2R)-2-[(2-chlorophenyl)methyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 25313917
(2R)-2-[(3-bromophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100630900
(2R)-N-cyclohexyl-2-[(3-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 100581156
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)prop-2-ynamide
CID 1466138

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-(2,5-dimethyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide?
The IUPAC name of (2S)-N-cyclohexyl-2-(2,5-dimethyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide (CID 25314421) is (2S)-N-cyclohexyl-2-(2,5-dimethyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-(2,5-dimethyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-(2,5-dimethyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide is Cc1ccc(C)c(N(C(=O)Cc2ccsc2)[C@H](C(=O)NC2CCCCC2)c2ccccc2)c1.
What is the InChIKey of (2S)-N-cyclohexyl-2-(2,5-dimethyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide?
The InChIKey is BKUZEFLVACWPEN-MHZLTWQESA-N. The full InChI is InChI=1S/C28H32N2O2S/c1-20-13-14-21(2)25(17-20)30(26(31)18-22-15-16-33-19-22)27(23-9-5-3-6-10-23)28(32)29-24-11-7-4-8-12-24/h3,5-6,9-10,13-17,19,24,27H,4,7-8,11-12,18H2,1-2H3,(H,29,32)/t27-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-(2,5-dimethyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide?
(2S)-N-cyclohexyl-2-(2,5-dimethyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide has a molecular weight of 460.64 g/mol, XLogP of 6.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-(2,5-dimethyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide is sourced from PubChem (CID 25314421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).