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

C23H25N3O6S — CID 39754906

IUPACN-[4-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)CCCNC(=O)c2ccco2)ccc1C
InChIInChI=1S/C23H25N3O6S/c1-16-11-12-17(25-22(27)10-5-13-24-23(28)20-9-6-14-32-20)15-21(16)33(29,30)26-18-7-3-4-8-19(18)31-2/h3-4,6-9,11-12,14-15,26H,5,10,13H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyGCVNVGSANMVYJZ-UHFFFAOYSA-N
MW471.54 g/mol
LogP3.55
Rot. Bonds10

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

N-[4-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide (PubChem CID 39754906) has the molecular formula C23H25N3O6S and a molecular weight of 471.54 g/mol. Its IUPAC name is N-[4-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide
PubChem CID39754906
Molecular FormulaC23H25N3O6S
Molecular Weight471.54 g/mol
Exact Mass471.15
IUPAC NameN-[4-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)CCCNC(=O)c2ccco2)ccc1C
InChIInChI=1S/C23H25N3O6S/c1-16-11-12-17(25-22(27)10-5-13-24-23(28)20-9-6-14-32-20)15-21(16)33(29,30)26-18-7-3-4-8-19(18)31-2/h3-4,6-9,11-12,14-15,26H,5,10,13H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyGCVNVGSANMVYJZ-UHFFFAOYSA-N
XLogP3.55
TPSA126.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide
CID 39761071
2-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide
CID 24642606
3-(benzenesulfonyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide
CID 24642708
3-(2,5-dimethylphenoxy)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide
CID 4148036
N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]furan-2-carboxamide
CID 30474795
3-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide
CID 24642566
N-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]furan-2-carboxamide
CID 9141000
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide
CID 71904027
N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2632905
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dimethylbenzamide
CID 3879769
N-[4-[2-(4-methylphenoxy)anilino]-4-oxobutyl]furan-2-carboxamide
CID 24681410
1-[(4-methoxyphenyl)methyl]-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea
CID 42992972

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide (CID 39754906) is N-[4-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CCCNC(=O)c2ccco2)ccc1C.
What is the InChIKey of N-[4-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is GCVNVGSANMVYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6S/c1-16-11-12-17(25-22(27)10-5-13-24-23(28)20-9-6-14-32-20)15-21(16)33(29,30)26-18-7-3-4-8-19(18)31-2/h3-4,6-9,11-12,14-15,26H,5,10,13H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of N-[4-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide?
N-[4-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 471.54 g/mol, XLogP of 3.55, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 39754906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).