N-(3-anilinopropyl)-5-sulfamoylthiophene-3-carboxamide

C14H17N3O3S2 — CID 56804960

IUPACN-(3-anilinopropyl)-5-sulfamoylthiophene-3-carboxamide
SMILESNS(=O)(=O)c1cc(C(=O)NCCCNc2ccccc2)cs1
InChIInChI=1S/C14H17N3O3S2/c15-22(19,20)13-9-11(10-21-13)14(18)17-8-4-7-16-12-5-2-1-3-6-12/h1-3,5-6,9-10,16H,4,7-8H2,(H,17,18)(H2,15,19,20)
InChIKeyBTBFRIJZIAMYES-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.63
Rot. Bonds7

About N-(3-anilinopropyl)-5-sulfamoylthiophene-3-carboxamide

N-(3-anilinopropyl)-5-sulfamoylthiophene-3-carboxamide (PubChem CID 56804960) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(3-anilinopropyl)-5-sulfamoylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-anilinopropyl)-5-sulfamoylthiophene-3-carboxamide
PubChem CID56804960
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC NameN-(3-anilinopropyl)-5-sulfamoylthiophene-3-carboxamide
SMILESNS(=O)(=O)c1cc(C(=O)NCCCNc2ccccc2)cs1
InChIInChI=1S/C14H17N3O3S2/c15-22(19,20)13-9-11(10-21-13)14(18)17-8-4-7-16-12-5-2-1-3-6-12/h1-3,5-6,9-10,16H,4,7-8H2,(H,17,18)(H2,15,19,20)
InChIKeyBTBFRIJZIAMYES-UHFFFAOYSA-N
XLogP1.63
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-anilinopropyl)-5-sulfamoylthiophene-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

5-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid
CID 119235236
N-(2-phenylethyl)-5-sulfamoylthiophene-3-carboxamide
CID 39191262
5-sulfamoyl-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide
CID 115491568
N-(2-methylsulfinylethyl)-5-sulfamoylthiophene-3-carboxamide
CID 115631261
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-5-sulfamoylthiophene-3-carboxamide
CID 94762614
2-(aminomethyl)-N-(3-anilinopropyl)-1,3-thiazole-4-carboxamide
CID 119867801
N-(cyclopropylmethyl)-5-sulfamoylthiophene-3-carboxamide
CID 62223100
N-[(4-methylphenyl)methyl]-5-sulfamoylthiophene-3-carboxamide
CID 36650596
N-[(1-methylcyclopentyl)methyl]-5-sulfamoylthiophene-3-carboxamide
CID 63823232
N-(3-fluoro-4-methylphenyl)-5-sulfamoylthiophene-3-carboxamide
CID 36650519
N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-5-sulfamoylthiophene-3-carboxamide
CID 95238811
8-[(5-methylsulfonylthiophene-3-carbonyl)amino]octanoic acid
CID 120689510

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinopropyl)-5-sulfamoylthiophene-3-carboxamide?
The IUPAC name of N-(3-anilinopropyl)-5-sulfamoylthiophene-3-carboxamide (CID 56804960) is N-(3-anilinopropyl)-5-sulfamoylthiophene-3-carboxamide.
What is the SMILES notation for N-(3-anilinopropyl)-5-sulfamoylthiophene-3-carboxamide?
The canonical SMILES for N-(3-anilinopropyl)-5-sulfamoylthiophene-3-carboxamide is NS(=O)(=O)c1cc(C(=O)NCCCNc2ccccc2)cs1.
What is the InChIKey of N-(3-anilinopropyl)-5-sulfamoylthiophene-3-carboxamide?
The InChIKey is BTBFRIJZIAMYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c15-22(19,20)13-9-11(10-21-13)14(18)17-8-4-7-16-12-5-2-1-3-6-12/h1-3,5-6,9-10,16H,4,7-8H2,(H,17,18)(H2,15,19,20).
What are the key properties of N-(3-anilinopropyl)-5-sulfamoylthiophene-3-carboxamide?
N-(3-anilinopropyl)-5-sulfamoylthiophene-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinopropyl)-5-sulfamoylthiophene-3-carboxamide is sourced from PubChem (CID 56804960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).