5-bromo-N-[3-[(5-sulfamoylthiophen-2-yl)methylcarbamoyl]phenyl]furan-2-carboxamide

C17H14BrN3O5S2 — CID 55791536

IUPAC5-bromo-N-[3-[(5-sulfamoylthiophen-2-yl)methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)s1
InChIInChI=1S/C17H14BrN3O5S2/c18-14-6-5-13(26-14)17(23)21-11-3-1-2-10(8-11)16(22)20-9-12-4-7-15(27-12)28(19,24)25/h1-8H,9H2,(H,20,22)(H,21,23)(H2,19,24,25)
InChIKeyKDKIOFBHYNHTDX-UHFFFAOYSA-N
MW484.35 g/mol
LogP2.93
Rot. Bonds6

About 5-bromo-N-[3-[(5-sulfamoylthiophen-2-yl)methylcarbamoyl]phenyl]furan-2-carboxamide

5-bromo-N-[3-[(5-sulfamoylthiophen-2-yl)methylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55791536) has the molecular formula C17H14BrN3O5S2 and a molecular weight of 484.35 g/mol. Its IUPAC name is 5-bromo-N-[3-[(5-sulfamoylthiophen-2-yl)methylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[(5-sulfamoylthiophen-2-yl)methylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID55791536
Molecular FormulaC17H14BrN3O5S2
Molecular Weight484.35 g/mol
Exact Mass482.96
IUPAC Name5-bromo-N-[3-[(5-sulfamoylthiophen-2-yl)methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)s1
InChIInChI=1S/C17H14BrN3O5S2/c18-14-6-5-13(26-14)17(23)21-11-3-1-2-10(8-11)16(22)20-9-12-4-7-15(27-12)28(19,24)25/h1-8H,9H2,(H,20,22)(H,21,23)(H2,19,24,25)
InChIKeyKDKIOFBHYNHTDX-UHFFFAOYSA-N
XLogP2.93
TPSA131.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.35
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-bromo-N-[3-[(5-sulfamoylthiophen-2-yl)methylcarbamoyl]phenyl]furan-2-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-bromo-N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55771554
5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 9323689
5-bromo-N-[3-[(2-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55908761
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-(3-carbamothioylphenyl)furan-2-carboxamide
CID 24691295
5-bromo-N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55770830
5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26158861
N-[(5-sulfamoylthiophen-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24574708
3,5-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242455
5-bromo-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 112832556
5-bromo-N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 78897428
5-bromo-N-[3-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 55774997

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[(5-sulfamoylthiophen-2-yl)methylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-[(5-sulfamoylthiophen-2-yl)methylcarbamoyl]phenyl]furan-2-carboxamide (CID 55791536) is 5-bromo-N-[3-[(5-sulfamoylthiophen-2-yl)methylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[(5-sulfamoylthiophen-2-yl)methylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[(5-sulfamoylthiophen-2-yl)methylcarbamoyl]phenyl]furan-2-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)s1.
What is the InChIKey of 5-bromo-N-[3-[(5-sulfamoylthiophen-2-yl)methylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is KDKIOFBHYNHTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O5S2/c18-14-6-5-13(26-14)17(23)21-11-3-1-2-10(8-11)16(22)20-9-12-4-7-15(27-12)28(19,24)25/h1-8H,9H2,(H,20,22)(H,21,23)(H2,19,24,25).
What are the key properties of 5-bromo-N-[3-[(5-sulfamoylthiophen-2-yl)methylcarbamoyl]phenyl]furan-2-carboxamide?
5-bromo-N-[3-[(5-sulfamoylthiophen-2-yl)methylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 484.35 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[(5-sulfamoylthiophen-2-yl)methylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55791536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).