N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]furan-2-carboxamide

C20H18ClN3O5S — CID 30474795

IUPACN-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)c2ccco2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3O5S/c1-13-4-7-16(23-19(25)12-22-20(26)17-3-2-10-29-17)11-18(13)30(27,28)24-15-8-5-14(21)6-9-15/h2-11,24H,12H2,1H3,(H,22,26)(H,23,25)
InChIKeyAHLRAVYKLWOFDJ-UHFFFAOYSA-N
MW447.90 g/mol
LogP3.41
Rot. Bonds7

About N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]furan-2-carboxamide

N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 30474795) has the molecular formula C20H18ClN3O5S and a molecular weight of 447.90 g/mol. Its IUPAC name is N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]furan-2-carboxamide
PubChem CID30474795
Molecular FormulaC20H18ClN3O5S
Molecular Weight447.90 g/mol
Exact Mass447.07
IUPAC NameN-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)c2ccco2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3O5S/c1-13-4-7-16(23-19(25)12-22-20(26)17-3-2-10-29-17)11-18(13)30(27,28)24-15-8-5-14(21)6-9-15/h2-11,24H,12H2,1H3,(H,22,26)(H,23,25)
InChIKeyAHLRAVYKLWOFDJ-UHFFFAOYSA-N
XLogP3.41
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.90
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide
CID 39761071
N-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]furan-2-carboxamide
CID 9141000
1,3-bis[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]urea
CID 90145577
N-[4-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide
CID 39754906
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide
CID 42988703
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,6-difluorobenzamide
CID 36772113
5-tert-butyl-N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-2-methylbenzenesulfonamide
CID 2107998
N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9269646
methyl 3-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]-4-methylbenzoate
CID 25335107
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-pyridin-2-ylpropanamide
CID 60599784
N-[2-[3-[(3-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 42992241
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 24504865

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]furan-2-carboxamide (CID 30474795) is N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]furan-2-carboxamide is Cc1ccc(NC(=O)CNC(=O)c2ccco2)cc1S(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is AHLRAVYKLWOFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O5S/c1-13-4-7-16(23-19(25)12-22-20(26)17-3-2-10-29-17)11-18(13)30(27,28)24-15-8-5-14(21)6-9-15/h2-11,24H,12H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 447.90 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 30474795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).