(3S)-1-[4-(dimethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide

C21H27N3O6S2 — CID 1456755

IUPAC(3S)-1-[4-(dimethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1
InChIInChI=1S/C21H27N3O6S2/c1-23(2)31(26,27)19-10-12-20(13-11-19)32(28,29)24-14-4-5-16(15-24)21(25)22-17-6-8-18(30-3)9-7-17/h6-13,16H,4-5,14-15H2,1-3H3,(H,22,25)/t16-/m0/s1
InChIKeyBGGDQIGEXUZYHU-INIZCTEOSA-N
MW481.60 g/mol
LogP1.98
Rot. Bonds7

About (3S)-1-[4-(dimethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide

(3S)-1-[4-(dimethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide (PubChem CID 1456755) has the molecular formula C21H27N3O6S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is (3S)-1-[4-(dimethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[4-(dimethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide
PubChem CID1456755
Molecular FormulaC21H27N3O6S2
Molecular Weight481.60 g/mol
Exact Mass481.13
IUPAC Name(3S)-1-[4-(dimethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1
InChIInChI=1S/C21H27N3O6S2/c1-23(2)31(26,27)19-10-12-20(13-11-19)32(28,29)24-14-4-5-16(15-24)21(25)22-17-6-8-18(30-3)9-7-17/h6-13,16H,4-5,14-15H2,1-3H3,(H,22,25)/t16-/m0/s1
InChIKeyBGGDQIGEXUZYHU-INIZCTEOSA-N
XLogP1.98
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-1-[4-(dimethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-(4-acetamidophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081635
(3S)-1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 1081613
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 2991035
methyl 4-[[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 41301922
(3R)-N-(4-carbamoylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 9207182
(3R)-1-(4-methoxyphenyl)sulfonyl-N-(4-propylphenyl)piperidine-3-carboxamide
CID 9225422
(3R)-N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 39279777
(3S)-N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 126380777
(3R)-N-[4-(cyanomethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 9261324
(3R)-1-(dimethylsulfamoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 93487555
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 1081686
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-(dimethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[4-(dimethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide (CID 1456755) is (3S)-1-[4-(dimethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[4-(dimethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[4-(dimethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide is COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C2)cc1.
What is the InChIKey of (3S)-1-[4-(dimethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide?
The InChIKey is BGGDQIGEXUZYHU-INIZCTEOSA-N. The full InChI is InChI=1S/C21H27N3O6S2/c1-23(2)31(26,27)19-10-12-20(13-11-19)32(28,29)24-14-4-5-16(15-24)21(25)22-17-6-8-18(30-3)9-7-17/h6-13,16H,4-5,14-15H2,1-3H3,(H,22,25)/t16-/m0/s1.
What are the key properties of (3S)-1-[4-(dimethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide?
(3S)-1-[4-(dimethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-(dimethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 1456755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).