N-[2-[(4-chlorophenyl)sulfinylmethyl]cyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide

C25H25ClN2O3S — CID 18453260

IUPACN-[2-[(4-chlorophenyl)sulfinylmethyl]cyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide
SMILESO=C(NC1CCCCC1CS(=O)c1ccc(Cl)cc1)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C25H25ClN2O3S/c26-20-10-14-22(15-11-20)32(31)17-19-5-1-2-6-23(19)27-25(30)18-8-12-21(13-9-18)28-16-4-3-7-24(28)29/h3-4,7-16,19,23H,1-2,5-6,17H2,(H,27,30)
InChIKeyFOMTZIDIMOHTLQ-UHFFFAOYSA-N
MW469.01 g/mol
LogP4.59
Rot. Bonds6

About N-[2-[(4-chlorophenyl)sulfinylmethyl]cyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide

N-[2-[(4-chlorophenyl)sulfinylmethyl]cyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide (PubChem CID 18453260) has the molecular formula C25H25ClN2O3S and a molecular weight of 469.01 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)sulfinylmethyl]cyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)sulfinylmethyl]cyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide
PubChem CID18453260
Molecular FormulaC25H25ClN2O3S
Molecular Weight469.01 g/mol
Exact Mass468.13
IUPAC NameN-[2-[(4-chlorophenyl)sulfinylmethyl]cyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide
SMILESO=C(NC1CCCCC1CS(=O)c1ccc(Cl)cc1)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C25H25ClN2O3S/c26-20-10-14-22(15-11-20)32(31)17-19-5-1-2-6-23(19)27-25(30)18-8-12-21(13-9-18)28-16-4-3-7-24(28)29/h3-4,7-16,19,23H,1-2,5-6,17H2,(H,27,30)
InChIKeyFOMTZIDIMOHTLQ-UHFFFAOYSA-N
XLogP4.59
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.01
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-chlorobenzoyl)amino]cyclopentyl]-4-(2-oxo-1-pyridinyl)benzamide
CID 75027304
4-chloro-3-fluoro-N-[(2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide
CID 71189210
4-chloro-2-methyl-N-[(1R)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide
CID 142943661
6-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclohexyl]-1-benzothiophene-2-carboxamide
CID 11306712
N-[(1S,2R)-2-[(6-chloronaphthalen-2-yl)sulfonylamino]cyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide;sulfane
CID 160852973
N-[(2R)-2-[(4-methoxybenzoyl)amino]cyclopentyl]-4-(2-oxo-1-pyridinyl)benzamide
CID 163680968
5-chloro-N-[(1S,2R)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]-1H-indole-2-carboxamide
CID 11213659
N'-(5-chloro-2-pyridinyl)-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]oxamide
CID 11363623
tert-butyl N-[(1S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]carbamate
CID 142943619
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]thiophene-2-carboxamide
CID 72981087
1-(4-chlorophenyl)pyridin-2-one
CID 68957992

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)sulfinylmethyl]cyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide?
The IUPAC name of N-[2-[(4-chlorophenyl)sulfinylmethyl]cyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide (CID 18453260) is N-[2-[(4-chlorophenyl)sulfinylmethyl]cyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)sulfinylmethyl]cyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)sulfinylmethyl]cyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide is O=C(NC1CCCCC1CS(=O)c1ccc(Cl)cc1)c1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)sulfinylmethyl]cyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide?
The InChIKey is FOMTZIDIMOHTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O3S/c26-20-10-14-22(15-11-20)32(31)17-19-5-1-2-6-23(19)27-25(30)18-8-12-21(13-9-18)28-16-4-3-7-24(28)29/h3-4,7-16,19,23H,1-2,5-6,17H2,(H,27,30).
What are the key properties of N-[2-[(4-chlorophenyl)sulfinylmethyl]cyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide?
N-[2-[(4-chlorophenyl)sulfinylmethyl]cyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide has a molecular weight of 469.01 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)sulfinylmethyl]cyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide is sourced from PubChem (CID 18453260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).