N-cyclohexyl-2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzamide

C25H33N3O4S — CID 1311166

IUPACN-cyclohexyl-2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzamide
SMILESCC(C)c1ccc(N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C25H33N3O4S/c1-18(2)19-13-15-21(16-14-19)28(33(3,31)32)17-24(29)27-23-12-8-7-11-22(23)25(30)26-20-9-5-4-6-10-20/h7-8,11-16,18,20H,4-6,9-10,17H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyCGPJQKFWCQQQFD-UHFFFAOYSA-N
MW471.62 g/mol
LogP4.28
Rot. Bonds8

About N-cyclohexyl-2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzamide

N-cyclohexyl-2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzamide (PubChem CID 1311166) has the molecular formula C25H33N3O4S and a molecular weight of 471.62 g/mol. Its IUPAC name is N-cyclohexyl-2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzamide
PubChem CID1311166
Molecular FormulaC25H33N3O4S
Molecular Weight471.62 g/mol
Exact Mass471.22
IUPAC NameN-cyclohexyl-2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzamide
SMILESCC(C)c1ccc(N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C25H33N3O4S/c1-18(2)19-13-15-21(16-14-19)28(33(3,31)32)17-24(29)27-23-12-8-7-11-22(23)25(30)26-20-9-5-4-6-10-20/h7-8,11-16,18,20H,4-6,9-10,17H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyCGPJQKFWCQQQFD-UHFFFAOYSA-N
XLogP4.28
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.62
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzamide with MolForge

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Related Compounds

2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 1322673
2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 2929125
2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide
CID 126035456
2-[[2-(4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 1320723
N-(2-methoxyphenyl)-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 113154354
2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-(2-phenylphenyl)acetamide
CID 126124352
N-cyclopentyl-2-[[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]benzamide
CID 9050106
N-cyclohexyl-2-[[2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 51362649
N-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 9053688
N-cyclohexyl-2-[4-(2-fluoro-N-methylsulfonylanilino)butanoylamino]benzamide
CID 100509528
N-cyclohexyl-2-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 126032749
(2R)-2-[(2-chlorophenyl)methyl-[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]-N-cyclohexylpropanamide
CID 125059303

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzamide (CID 1311166) is N-cyclohexyl-2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzamide is CC(C)c1ccc(N(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-cyclohexyl-2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzamide?
The InChIKey is CGPJQKFWCQQQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4S/c1-18(2)19-13-15-21(16-14-19)28(33(3,31)32)17-24(29)27-23-12-8-7-11-22(23)25(30)26-20-9-5-4-6-10-20/h7-8,11-16,18,20H,4-6,9-10,17H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of N-cyclohexyl-2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzamide?
N-cyclohexyl-2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzamide has a molecular weight of 471.62 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 1311166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).