N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]furan-2-carboxamide

C19H16N2O5S — CID 9072392

IUPACN-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1
InChIInChI=1S/C19H16N2O5S/c1-27(24,25)16-5-2-4-15(12-16)21-18(22)13-7-9-14(10-8-13)20-19(23)17-6-3-11-26-17/h2-12H,1H3,(H,20,23)(H,21,22)
InChIKeyKOYZOAPESKQALK-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.19
Rot. Bonds5

About N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]furan-2-carboxamide

N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 9072392) has the molecular formula C19H16N2O5S and a molecular weight of 384.41 g/mol. Its IUPAC name is N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID9072392
Molecular FormulaC19H16N2O5S
Molecular Weight384.41 g/mol
Exact Mass384.08
IUPAC NameN-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1
InChIInChI=1S/C19H16N2O5S/c1-27(24,25)16-5-2-4-15(12-16)21-18(22)13-7-9-14(10-8-13)20-19(23)17-6-3-11-26-17/h2-12H,1H3,(H,20,23)(H,21,22)
InChIKeyKOYZOAPESKQALK-UHFFFAOYSA-N
XLogP3.19
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]benzamide
CID 55637881
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
N-[4-[[4-methyl-3-(methylsulfamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9479404
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1114254
N-[4-(3-acetylanilino)phenyl]furan-2-carboxamide
CID 112988117
N-(3-ethylphenyl)-4-methylsulfonylbenzamide
CID 26880057
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 9191529
N-[3-[(4-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 1333464
3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 17416178

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]furan-2-carboxamide (CID 9072392) is N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]furan-2-carboxamide is CS(=O)(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1.
What is the InChIKey of N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is KOYZOAPESKQALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5S/c1-27(24,25)16-5-2-4-15(12-16)21-18(22)13-7-9-14(10-8-13)20-19(23)17-6-3-11-26-17/h2-12H,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]furan-2-carboxamide?
N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 9072392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).