2-[(4-hydroxycyclohexyl)amino]-4-(4-methylsulfinylphenyl)benzamide

C20H24N2O3S — CID 24995493

IUPAC2-[(4-hydroxycyclohexyl)amino]-4-(4-methylsulfinylphenyl)benzamide
SMILESCS(=O)c1ccc(-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)cc1
InChIInChI=1S/C20H24N2O3S/c1-26(25)17-9-2-13(3-10-17)14-4-11-18(20(21)24)19(12-14)22-15-5-7-16(23)8-6-15/h2-4,9-12,15-16,22-23H,5-8H2,1H3,(H2,21,24)
InChIKeyLPQDYVORVLEQAV-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.91
Rot. Bonds5

About 2-[(4-hydroxycyclohexyl)amino]-4-(4-methylsulfinylphenyl)benzamide

2-[(4-hydroxycyclohexyl)amino]-4-(4-methylsulfinylphenyl)benzamide (PubChem CID 24995493) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)amino]-4-(4-methylsulfinylphenyl)benzamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)amino]-4-(4-methylsulfinylphenyl)benzamide
PubChem CID24995493
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name2-[(4-hydroxycyclohexyl)amino]-4-(4-methylsulfinylphenyl)benzamide
SMILESCS(=O)c1ccc(-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)cc1
InChIInChI=1S/C20H24N2O3S/c1-26(25)17-9-2-13(3-10-17)14-4-11-18(20(21)24)19(12-14)22-15-5-7-16(23)8-6-15/h2-4,9-12,15-16,22-23H,5-8H2,1H3,(H2,21,24)
InChIKeyLPQDYVORVLEQAV-UHFFFAOYSA-N
XLogP2.91
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-[(4-hydroxycyclohexyl)amino]benzamide
CID 118939356
2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide
CID 141015249
4-(3,3-dimethyl-1,1-dioxo-2,4,5a,6,7,8,9,9a-octahydrothiopyrano[3,2-b]indol-5-yl)-2-[(4-hydroxycyclohexyl)amino]benzamide
CID 51037977
2-(cyclopropylamino)benzamide
CID 119089293
4-methyl-2-(piperidin-4-ylamino)benzamide
CID 62308857
4-(2-butyl-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-[(4-hydroxycyclohexyl)amino]benzamide
CID 66563220
4-(2-carbamoyl-5-chloroanilino)cyclohexane-1-carboxylic acid
CID 63082756
2-[(4-hydroxycyclohexyl)amino]-4-[3-(hydroxymethyl)-6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl]benzamide
CID 59828729
4-(5-ethyl-3,6,6-trimethyl-4-oxo-7H-pyrrolo[3,2-c]pyridin-1-yl)-2-[(4-hydroxycyclohexyl)amino]benzamide
CID 142704228
2-[(4-hydroxycyclohexyl)amino]-4-[4-(4-phenylimidazol-1-yl)-1,7-naphthyridin-8-yl]benzamide
CID 166625378
2-(cyclohexylamino)-4-[2-(2-hydroxyphenoxy)phenyl]benzamide
CID 142339916
5-(2-cyclopentylethynyl)-2-[(4-hydroxycyclohexyl)amino]benzamide
CID 166636388

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-4-(4-methylsulfinylphenyl)benzamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-4-(4-methylsulfinylphenyl)benzamide (CID 24995493) is 2-[(4-hydroxycyclohexyl)amino]-4-(4-methylsulfinylphenyl)benzamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)amino]-4-(4-methylsulfinylphenyl)benzamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)amino]-4-(4-methylsulfinylphenyl)benzamide is CS(=O)c1ccc(-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)cc1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)amino]-4-(4-methylsulfinylphenyl)benzamide?
The InChIKey is LPQDYVORVLEQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-26(25)17-9-2-13(3-10-17)14-4-11-18(20(21)24)19(12-14)22-15-5-7-16(23)8-6-15/h2-4,9-12,15-16,22-23H,5-8H2,1H3,(H2,21,24).
What are the key properties of 2-[(4-hydroxycyclohexyl)amino]-4-(4-methylsulfinylphenyl)benzamide?
2-[(4-hydroxycyclohexyl)amino]-4-(4-methylsulfinylphenyl)benzamide has a molecular weight of 372.49 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)amino]-4-(4-methylsulfinylphenyl)benzamide is sourced from PubChem (CID 24995493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).