5-bromo-N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide

C20H18BrN3O5S — CID 55771554

IUPAC5-bromo-N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)cc1
InChIInChI=1S/C20H18BrN3O5S/c21-18-9-8-17(29-18)20(26)24-15-3-1-2-14(12-15)19(25)23-11-10-13-4-6-16(7-5-13)30(22,27)28/h1-9,12H,10-11H2,(H,23,25)(H,24,26)(H2,22,27,28)
InChIKeyGETYIEWVHSJLQC-UHFFFAOYSA-N
MW492.35 g/mol
LogP2.91
Rot. Bonds7

About 5-bromo-N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide

5-bromo-N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55771554) has the molecular formula C20H18BrN3O5S and a molecular weight of 492.35 g/mol. Its IUPAC name is 5-bromo-N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID55771554
Molecular FormulaC20H18BrN3O5S
Molecular Weight492.35 g/mol
Exact Mass491.02
IUPAC Name5-bromo-N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)cc1
InChIInChI=1S/C20H18BrN3O5S/c21-18-9-8-17(29-18)20(26)24-15-3-1-2-14(12-15)19(25)23-11-10-13-4-6-16(7-5-13)30(22,27)28/h1-9,12H,10-11H2,(H,23,25)(H,24,26)(H2,22,27,28)
InChIKeyGETYIEWVHSJLQC-UHFFFAOYSA-N
XLogP2.91
TPSA131.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.35
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylpropanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 1308646
5-bromo-N-[3-[(5-sulfamoylthiophen-2-yl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55791536
3-[(2-methylcyclopropanecarbonyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 55650589
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 6420184
3-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 670722
5-bromo-N-[3-(2-methylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 9323689
5-bromo-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 112832556
5-bromo-N-[3-(3-pyrazol-1-ylpropylcarbamoyl)phenyl]furan-2-carboxamide
CID 55774997
5-bromo-N-[3-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55772378
N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55792440
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-[4-[2-[2-(3-carbamoylphenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 51134432

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide (CID 55771554) is 5-bromo-N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)cc1.
What is the InChIKey of 5-bromo-N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is GETYIEWVHSJLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O5S/c21-18-9-8-17(29-18)20(26)24-15-3-1-2-14(12-15)19(25)23-11-10-13-4-6-16(7-5-13)30(22,27)28/h1-9,12H,10-11H2,(H,23,25)(H,24,26)(H2,22,27,28).
What are the key properties of 5-bromo-N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide?
5-bromo-N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 492.35 g/mol, XLogP of 2.91, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55771554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).