N-cyclohexyl-2-(3,4-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide

C27H31N3O2S — CID 3191141

IUPACN-cyclohexyl-2-(3,4-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide
SMILESCc1ccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCCC2)c2ccccn2)cc1C
InChIInChI=1S/C27H31N3O2S/c1-19-13-14-22(17-20(19)2)30(25(31)18-23-11-8-16-33-23)26(24-12-6-7-15-28-24)27(32)29-21-9-4-3-5-10-21/h6-8,11-17,21,26H,3-5,9-10,18H2,1-2H3,(H,29,32)
InChIKeyYSWXLHUZUIMWBT-UHFFFAOYSA-N
MW461.63 g/mol
LogP5.53
Rot. Bonds7

About N-cyclohexyl-2-(3,4-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide

N-cyclohexyl-2-(3,4-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide (PubChem CID 3191141) has the molecular formula C27H31N3O2S and a molecular weight of 461.63 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,4-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,4-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide
PubChem CID3191141
Molecular FormulaC27H31N3O2S
Molecular Weight461.63 g/mol
Exact Mass461.21
IUPAC NameN-cyclohexyl-2-(3,4-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide
SMILESCc1ccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCCC2)c2ccccn2)cc1C
InChIInChI=1S/C27H31N3O2S/c1-19-13-14-22(17-20(19)2)30(25(31)18-23-11-8-16-33-23)26(24-12-6-7-15-28-24)27(32)29-21-9-4-3-5-10-21/h6-8,11-17,21,26H,3-5,9-10,18H2,1-2H3,(H,29,32)
InChIKeyYSWXLHUZUIMWBT-UHFFFAOYSA-N
XLogP5.53
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.63
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-2-(3,4-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide 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

N-[1-[(cyclohexylamino)-oxomethyl]cyclohexyl]-N-(thiophen-2-ylmethyl)-2-pyridinecarboxamide
CID 5236771
ALP-POS-02c6a514-49
CID 156906925
2-[4-(1H-pyrrol-1-yl)phenyl]-N-(thien-2-ylmethyl)acetamide
CID 3244464
(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(4,5,6,7-tetrahydrobenzo[c]thiophen-1-yl)methanone
CID 42606457
4-[3-Oxo-4-(2-pyridin-1-yl-ethyl)-3,4-dihydro-quinoxalin-2-ylamino]-N-thiophen-2-ylmethyl-benzamide
CID 44403171
(2S)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-(5-pyridin-2-ylthiophen-2-yl)acetamide
CID 44456469
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(thiophen-2-yl)nicotinamide
CID 46900403
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-pyridin-2-ylthiophene-2-carboxamide
CID 59761454
(2S)-3-phenyl-N-(3-pyridin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 67497044
(2S)-N-(3-(2-methylpyridin-4-yl)phenyl)-3-phenyl-2-(thiazol-4-ylmethylamino)propanamide
CID 67497264
N-[(2S)-3-(1-benzothiophen-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]cyclohexanecarboxamide
CID 72703483
Hdac1/2-IN-3
CID 130319550

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,4-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide?
The IUPAC name of N-cyclohexyl-2-(3,4-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide (CID 3191141) is N-cyclohexyl-2-(3,4-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(3,4-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide?
The canonical SMILES for N-cyclohexyl-2-(3,4-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide is Cc1ccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCCC2)c2ccccn2)cc1C.
What is the InChIKey of N-cyclohexyl-2-(3,4-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide?
The InChIKey is YSWXLHUZUIMWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2S/c1-19-13-14-22(17-20(19)2)30(25(31)18-23-11-8-16-33-23)26(24-12-6-7-15-28-24)27(32)29-21-9-4-3-5-10-21/h6-8,11-17,21,26H,3-5,9-10,18H2,1-2H3,(H,29,32).
What are the key properties of N-cyclohexyl-2-(3,4-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide?
N-cyclohexyl-2-(3,4-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide has a molecular weight of 461.63 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,4-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide is sourced from PubChem (CID 3191141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).