N-cyclohexyl-2-phenyl-2-[pyridin-3-yl-(2-thiophen-3-ylacetyl)amino]acetamide

C25H27N3O2S — CID 3215262

IUPACN-cyclohexyl-2-phenyl-2-[pyridin-3-yl-(2-thiophen-3-ylacetyl)amino]acetamide
SMILESO=C(NC1CCCCC1)C(c1ccccc1)N(C(=O)Cc1ccsc1)c1cccnc1
InChIInChI=1S/C25H27N3O2S/c29-23(16-19-13-15-31-18-19)28(22-12-7-14-26-17-22)24(20-8-3-1-4-9-20)25(30)27-21-10-5-2-6-11-21/h1,3-4,7-9,12-15,17-18,21,24H,2,5-6,10-11,16H2,(H,27,30)
InChIKeyIFBSVSVMKPSLOO-UHFFFAOYSA-N
MW433.58 g/mol
LogP4.91
Rot. Bonds7

About N-cyclohexyl-2-phenyl-2-[pyridin-3-yl-(2-thiophen-3-ylacetyl)amino]acetamide

N-cyclohexyl-2-phenyl-2-[pyridin-3-yl-(2-thiophen-3-ylacetyl)amino]acetamide (PubChem CID 3215262) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is N-cyclohexyl-2-phenyl-2-[pyridin-3-yl-(2-thiophen-3-ylacetyl)amino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-phenyl-2-[pyridin-3-yl-(2-thiophen-3-ylacetyl)amino]acetamide
PubChem CID3215262
Molecular FormulaC25H27N3O2S
Molecular Weight433.58 g/mol
Exact Mass433.18
IUPAC NameN-cyclohexyl-2-phenyl-2-[pyridin-3-yl-(2-thiophen-3-ylacetyl)amino]acetamide
SMILESO=C(NC1CCCCC1)C(c1ccccc1)N(C(=O)Cc1ccsc1)c1cccnc1
InChIInChI=1S/C25H27N3O2S/c29-23(16-19-13-15-31-18-19)28(22-12-7-14-26-17-22)24(20-8-3-1-4-9-20)25(30)27-21-10-5-2-6-11-21/h1,3-4,7-9,12-15,17-18,21,24H,2,5-6,10-11,16H2,(H,27,30)
InChIKeyIFBSVSVMKPSLOO-UHFFFAOYSA-N
XLogP4.91
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclohexyl-2-(2,5-dimethyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide
CID 25314421
N-cyclohexyl-2-(2-methoxy-5-methyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide
CID 3215267
N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide
CID 3211759
N-cyclopentyl-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202613
(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-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-N-pyridin-3-ylpyridine-2-carboxamide
CID 3562026
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 1459374
N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-3-ylacetamide
CID 3191129
N-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide
CID 1439635
(2S)-2-(3-chloro-N-(2-chloroacetyl)anilino)-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 92534555
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 24792301

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-phenyl-2-[pyridin-3-yl-(2-thiophen-3-ylacetyl)amino]acetamide?
The IUPAC name of N-cyclohexyl-2-phenyl-2-[pyridin-3-yl-(2-thiophen-3-ylacetyl)amino]acetamide (CID 3215262) is N-cyclohexyl-2-phenyl-2-[pyridin-3-yl-(2-thiophen-3-ylacetyl)amino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-phenyl-2-[pyridin-3-yl-(2-thiophen-3-ylacetyl)amino]acetamide?
The canonical SMILES for N-cyclohexyl-2-phenyl-2-[pyridin-3-yl-(2-thiophen-3-ylacetyl)amino]acetamide is O=C(NC1CCCCC1)C(c1ccccc1)N(C(=O)Cc1ccsc1)c1cccnc1.
What is the InChIKey of N-cyclohexyl-2-phenyl-2-[pyridin-3-yl-(2-thiophen-3-ylacetyl)amino]acetamide?
The InChIKey is IFBSVSVMKPSLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2S/c29-23(16-19-13-15-31-18-19)28(22-12-7-14-26-17-22)24(20-8-3-1-4-9-20)25(30)27-21-10-5-2-6-11-21/h1,3-4,7-9,12-15,17-18,21,24H,2,5-6,10-11,16H2,(H,27,30).
What are the key properties of N-cyclohexyl-2-phenyl-2-[pyridin-3-yl-(2-thiophen-3-ylacetyl)amino]acetamide?
N-cyclohexyl-2-phenyl-2-[pyridin-3-yl-(2-thiophen-3-ylacetyl)amino]acetamide has a molecular weight of 433.58 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-phenyl-2-[pyridin-3-yl-(2-thiophen-3-ylacetyl)amino]acetamide is sourced from PubChem (CID 3215262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).