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

C22H22ClN3O5S — CID 39761071

IUPACN-[4-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)CCCNC(=O)c2ccco2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H22ClN3O5S/c1-15-6-9-18(14-20(15)32(29,30)26-17-10-7-16(23)8-11-17)25-21(27)5-2-12-24-22(28)19-4-3-13-31-19/h3-4,6-11,13-14,26H,2,5,12H2,1H3,(H,24,28)(H,25,27)
InChIKeyFQNDZLOOHWGRSK-UHFFFAOYSA-N
MW475.95 g/mol
LogP4.19
Rot. Bonds9

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

N-[4-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide (PubChem CID 39761071) has the molecular formula C22H22ClN3O5S and a molecular weight of 475.95 g/mol. Its IUPAC name is N-[4-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide
PubChem CID39761071
Molecular FormulaC22H22ClN3O5S
Molecular Weight475.95 g/mol
Exact Mass475.10
IUPAC NameN-[4-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)CCCNC(=O)c2ccco2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H22ClN3O5S/c1-15-6-9-18(14-20(15)32(29,30)26-17-10-7-16(23)8-11-17)25-21(27)5-2-12-24-22(28)19-4-3-13-31-19/h3-4,6-11,13-14,26H,2,5,12H2,1H3,(H,24,28)(H,25,27)
InChIKeyFQNDZLOOHWGRSK-UHFFFAOYSA-N
XLogP4.19
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.95
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]furan-2-carboxamide
CID 30474795
N-[4-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide
CID 39754906
N-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]furan-2-carboxamide
CID 9141000
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide
CID 42988703
1,3-bis[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]urea
CID 90145577
N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide
CID 31727361
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-pyridin-2-ylpropanamide
CID 60599784
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,6-difluorobenzamide
CID 36772113
N-[4-(2-fluoro-5-methylsulfonylanilino)-4-oxobutyl]furan-2-carboxamide
CID 31931206
N-[2-[(3,4-dimethylphenyl)carbamoylamino]ethyl]furan-2-carboxamide
CID 47031833
5-tert-butyl-N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-2-methylbenzenesulfonamide
CID 2107998
(Z)-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylpent-2-enamide
CID 60587416

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide (CID 39761071) is N-[4-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide is Cc1ccc(NC(=O)CCCNC(=O)c2ccco2)cc1S(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[4-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is FQNDZLOOHWGRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O5S/c1-15-6-9-18(14-20(15)32(29,30)26-17-10-7-16(23)8-11-17)25-21(27)5-2-12-24-22(28)19-4-3-13-31-19/h3-4,6-11,13-14,26H,2,5,12H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[4-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide?
N-[4-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 475.95 g/mol, XLogP of 4.19, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 39761071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).