N-(3-amino-4-methoxyphenyl)-1-sulfamoylpiperidine-4-carboxamide

C13H20N4O4S — CID 119420188

IUPACN-(3-amino-4-methoxyphenyl)-1-sulfamoylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(S(N)(=O)=O)CC2)cc1N
InChIInChI=1S/C13H20N4O4S/c1-21-12-3-2-10(8-11(12)14)16-13(18)9-4-6-17(7-5-9)22(15,19)20/h2-3,8-9H,4-7,14H2,1H3,(H,16,18)(H2,15,19,20)
InChIKeyLBSMBDBJCUGUGB-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.13
Rot. Bonds4

About N-(3-amino-4-methoxyphenyl)-1-sulfamoylpiperidine-4-carboxamide

N-(3-amino-4-methoxyphenyl)-1-sulfamoylpiperidine-4-carboxamide (PubChem CID 119420188) has the molecular formula C13H20N4O4S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-1-sulfamoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-1-sulfamoylpiperidine-4-carboxamide
PubChem CID119420188
Molecular FormulaC13H20N4O4S
Molecular Weight328.39 g/mol
Exact Mass328.12
IUPAC NameN-(3-amino-4-methoxyphenyl)-1-sulfamoylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(S(N)(=O)=O)CC2)cc1N
InChIInChI=1S/C13H20N4O4S/c1-21-12-3-2-10(8-11(12)14)16-13(18)9-4-6-17(7-5-9)22(15,19)20/h2-3,8-9H,4-7,14H2,1H3,(H,16,18)(H2,15,19,20)
InChIKeyLBSMBDBJCUGUGB-UHFFFAOYSA-N
XLogP0.13
TPSA127.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(3-amino-4-methoxyphenyl)-1-sulfamoylpiperidine-4-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

N-(3-amino-4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 119419829
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208
N-(3-amino-4-methoxyphenyl)-4-phenylcyclohexane-1-carboxamide
CID 119419715
1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 1072838
1-(3,4-dimethoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 1088318
N-(4-acetamidophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2941914
N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 18280720
N-(3-chloro-4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075521
N-(4-methoxy-3-sulfamoylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 4849187
N-(3-amino-4-methoxyphenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride
CID 119420166
N-(3-amino-4-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119419388
N-(3-chloro-4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 1211062

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-1-sulfamoylpiperidine-4-carboxamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-1-sulfamoylpiperidine-4-carboxamide (CID 119420188) is N-(3-amino-4-methoxyphenyl)-1-sulfamoylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-1-sulfamoylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-1-sulfamoylpiperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(S(N)(=O)=O)CC2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-1-sulfamoylpiperidine-4-carboxamide?
The InChIKey is LBSMBDBJCUGUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4S/c1-21-12-3-2-10(8-11(12)14)16-13(18)9-4-6-17(7-5-9)22(15,19)20/h2-3,8-9H,4-7,14H2,1H3,(H,16,18)(H2,15,19,20).
What are the key properties of N-(3-amino-4-methoxyphenyl)-1-sulfamoylpiperidine-4-carboxamide?
N-(3-amino-4-methoxyphenyl)-1-sulfamoylpiperidine-4-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-1-sulfamoylpiperidine-4-carboxamide is sourced from PubChem (CID 119420188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).