N-cyclohexyl-2-(2-methoxy-5-methyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide

C28H32N2O3S — CID 3215267

IUPACN-cyclohexyl-2-(2-methoxy-5-methyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide
SMILESCOc1ccc(C)cc1N(C(=O)Cc1ccsc1)C(C(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C28H32N2O3S/c1-20-13-14-25(33-2)24(17-20)30(26(31)18-21-15-16-34-19-21)27(22-9-5-3-6-10-22)28(32)29-23-11-7-4-8-12-23/h3,5-6,9-10,13-17,19,23,27H,4,7-8,11-12,18H2,1-2H3,(H,29,32)
InChIKeyYKOKWEYWCOEFPG-UHFFFAOYSA-N
MW476.64 g/mol
LogP5.83
Rot. Bonds8

About N-cyclohexyl-2-(2-methoxy-5-methyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide

N-cyclohexyl-2-(2-methoxy-5-methyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide (PubChem CID 3215267) has the molecular formula C28H32N2O3S and a molecular weight of 476.64 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-methoxy-5-methyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-methoxy-5-methyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide
PubChem CID3215267
Molecular FormulaC28H32N2O3S
Molecular Weight476.64 g/mol
Exact Mass476.21
IUPAC NameN-cyclohexyl-2-(2-methoxy-5-methyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide
SMILESCOc1ccc(C)cc1N(C(=O)Cc1ccsc1)C(C(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C28H32N2O3S/c1-20-13-14-25(33-2)24(17-20)30(26(31)18-21-15-16-34-19-21)27(22-9-5-3-6-10-22)28(32)29-23-11-7-4-8-12-23/h3,5-6,9-10,13-17,19,23,27H,4,7-8,11-12,18H2,1-2H3,(H,29,32)
InChIKeyYKOKWEYWCOEFPG-UHFFFAOYSA-N
XLogP5.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.64
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-2-(2-methoxy-5-methyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-cyclohexyl-2-(2,5-dimethyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide
CID 25314421
N-cyclopentyl-2-(2-methoxy-5-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(3-methoxyphenyl)acetamide
CID 3202707
N-cyclohexyl-2-phenyl-2-[pyridin-3-yl-(2-thiophen-3-ylacetyl)amino]acetamide
CID 3215262
2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxy-5-methylanilino)-N-cyclohexyl-2-(4-hydroxyphenyl)acetamide
CID 3184697
N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3202943
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)acetamide
CID 1458408
(2S)-2-[benzyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 1457715
N-cyclopentyl-2-(3-methoxyphenyl)-2-(2-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202708
2-[1,3-benzodioxol-5-yl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 3215250
(2S)-N-cyclohexyl-2-(4-hydroxyphenyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1168238
(2S)-2-[benzyl-[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100573221
(2R)-2-[[2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetyl]-[(3-methylphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 125053904

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-methoxy-5-methyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide?
The IUPAC name of N-cyclohexyl-2-(2-methoxy-5-methyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide (CID 3215267) is N-cyclohexyl-2-(2-methoxy-5-methyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(2-methoxy-5-methyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide?
The canonical SMILES for N-cyclohexyl-2-(2-methoxy-5-methyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide is COc1ccc(C)cc1N(C(=O)Cc1ccsc1)C(C(=O)NC1CCCCC1)c1ccccc1.
What is the InChIKey of N-cyclohexyl-2-(2-methoxy-5-methyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide?
The InChIKey is YKOKWEYWCOEFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3S/c1-20-13-14-25(33-2)24(17-20)30(26(31)18-21-15-16-34-19-21)27(22-9-5-3-6-10-22)28(32)29-23-11-7-4-8-12-23/h3,5-6,9-10,13-17,19,23,27H,4,7-8,11-12,18H2,1-2H3,(H,29,32).
What are the key properties of N-cyclohexyl-2-(2-methoxy-5-methyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide?
N-cyclohexyl-2-(2-methoxy-5-methyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide has a molecular weight of 476.64 g/mol, XLogP of 5.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-methoxy-5-methyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide is sourced from PubChem (CID 3215267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).