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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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).