N-[4-[(3-acetylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide

C20H23N3O4S — CID 2985508

IUPACN-[4-[(3-acetylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C20H23N3O4S/c1-15(24)16-6-5-7-18(14-16)22-28(26,27)19-10-8-17(9-11-19)21-20(25)23-12-3-2-4-13-23/h5-11,14,22H,2-4,12-13H2,1H3,(H,21,25)
InChIKeyMTWQYDPPWLQHAI-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.71
Rot. Bonds5

About N-[4-[(3-acetylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide

N-[4-[(3-acetylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide (PubChem CID 2985508) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[4-[(3-acetylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-acetylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide
PubChem CID2985508
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-[4-[(3-acetylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C20H23N3O4S/c1-15(24)16-6-5-7-18(14-16)22-28(26,27)19-10-8-17(9-11-19)21-20(25)23-12-3-2-4-13-23/h5-11,14,22H,2-4,12-13H2,1H3,(H,21,25)
InChIKeyMTWQYDPPWLQHAI-UHFFFAOYSA-N
XLogP3.71
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]piperidine-1-carboxamide
CID 7376472
N-(3-acetylphenyl)-4-(azepane-1-carbonyl)thiophene-2-sulfonamide
CID 50777717
1-(3-acetylphenyl)-3-[4-(phenylsulfamoyl)phenyl]thiourea
CID 25237665
N-[4-[(2,3-dimethylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide
CID 6459006
(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512783
N-(3-acetylphenyl)-4-ethylsulfonylpiperazine-1-carboxamide
CID 51102257
N-(4-acetylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 7542008
[2,3-diacetyloxy-5-[[4-[(3-acetylphenyl)sulfamoyl]phenyl]carbamoyl]phenyl] acetate
CID 154791697
N-(3-acetylphenyl)-2-oxo-2-piperidin-1-ylacetamide
CID 2194073
methyl 3-(pyrrolidine-1-carbonylamino)benzoate
CID 39732853
4-[[3-[(3-acetylphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 1355824
3-[(4-acetamidophenyl)sulfonylamino]-N-methylbenzamide
CID 31580637

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-acetylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide?
The IUPAC name of N-[4-[(3-acetylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide (CID 2985508) is N-[4-[(3-acetylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[4-[(3-acetylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-[4-[(3-acetylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide is CC(=O)c1cccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)c1.
What is the InChIKey of N-[4-[(3-acetylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide?
The InChIKey is MTWQYDPPWLQHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-15(24)16-6-5-7-18(14-16)22-28(26,27)19-10-8-17(9-11-19)21-20(25)23-12-3-2-4-13-23/h5-11,14,22H,2-4,12-13H2,1H3,(H,21,25).
What are the key properties of N-[4-[(3-acetylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide?
N-[4-[(3-acetylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-acetylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 2985508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).