N-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methoxy-5-methylbenzenesulfonamide

C24H31ClN2O4S — CID 44516302

IUPACN-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC(CCc1ccccc1Cl)C(=O)N1CCC(C)CC1
InChIInChI=1S/C24H31ClN2O4S/c1-17-12-14-27(15-13-17)24(28)21(10-9-19-6-4-5-7-20(19)25)26-32(29,30)23-16-18(2)8-11-22(23)31-3/h4-8,11,16-17,21,26H,9-10,12-15H2,1-3H3
InChIKeyRECZAISCUJURPT-UHFFFAOYSA-N
MW479.04 g/mol
LogP4.20
Rot. Bonds8

About N-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methoxy-5-methylbenzenesulfonamide

N-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 44516302) has the molecular formula C24H31ClN2O4S and a molecular weight of 479.04 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methoxy-5-methylbenzenesulfonamide
PubChem CID44516302
Molecular FormulaC24H31ClN2O4S
Molecular Weight479.04 g/mol
Exact Mass478.17
IUPAC NameN-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC(CCc1ccccc1Cl)C(=O)N1CCC(C)CC1
InChIInChI=1S/C24H31ClN2O4S/c1-17-12-14-27(15-13-17)24(28)21(10-9-19-6-4-5-7-20(19)25)26-32(29,30)23-16-18(2)8-11-22(23)31-3/h4-8,11,16-17,21,26H,9-10,12-15H2,1-3H3
InChIKeyRECZAISCUJURPT-UHFFFAOYSA-N
XLogP4.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.04
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-chlorophenyl)-4-(4-methylpiperidin-1-yl)-4-oxobutyl]-2-methoxy-5-methylbenzenesulfonamide
CID 67022725
N-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-1-benzothiophene-3-sulfonamide
CID 58504935
2-methoxy-5-methyl-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 43888990
N-[4-(2-aminopyrrol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-5-ethyl-2-methoxybenzenesulfonamide
CID 70963900
3-chloro-4-methoxy-N-[1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 43888960
3-chloro-4-methoxy-N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 30143189
(3E,5Z)-7-chloro-N-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]octa-3,5,7-triene-3-sulfonamide
CID 90334792
N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-2-methoxy-5-methylbenzenesulfonamide
CID 30143452
2-methoxy-5-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 110347501
N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]naphthalene-1-sulfonamide
CID 66997380
1-[4-(2-chlorophenyl)-2-(1H-indol-4-ylsulfonylamino)butanoyl]piperidine-4-carboxylic acid
CID 123914930
N-[1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2-methoxy-5-methylbenzenesulfonamide
CID 43889005

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methoxy-5-methylbenzenesulfonamide (CID 44516302) is N-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NC(CCc1ccccc1Cl)C(=O)N1CCC(C)CC1.
What is the InChIKey of N-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is RECZAISCUJURPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O4S/c1-17-12-14-27(15-13-17)24(28)21(10-9-19-6-4-5-7-20(19)25)26-32(29,30)23-16-18(2)8-11-22(23)31-3/h4-8,11,16-17,21,26H,9-10,12-15H2,1-3H3.
What are the key properties of N-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methoxy-5-methylbenzenesulfonamide?
N-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 479.04 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 44516302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).