N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C24H23N3O5S — CID 55792440

IUPACN-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cccc(NC(=O)C3Cc4ccccc4O3)c2)cc1
InChIInChI=1S/C24H23N3O5S/c25-33(30,31)20-10-8-16(9-11-20)12-13-26-23(28)18-5-3-6-19(14-18)27-24(29)22-15-17-4-1-2-7-21(17)32-22/h1-11,14,22H,12-13,15H2,(H,26,28)(H,27,29)(H2,25,30,31)
InChIKeyIJGDDHLVUCPCAT-UHFFFAOYSA-N
MW465.53 g/mol
LogP2.25
Rot. Bonds7

About N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 55792440) has the molecular formula C24H23N3O5S and a molecular weight of 465.53 g/mol. Its IUPAC name is N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID55792440
Molecular FormulaC24H23N3O5S
Molecular Weight465.53 g/mol
Exact Mass465.14
IUPAC NameN-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cccc(NC(=O)C3Cc4ccccc4O3)c2)cc1
InChIInChI=1S/C24H23N3O5S/c25-33(30,31)20-10-8-16(9-11-20)12-13-26-23(28)18-5-3-6-19(14-18)27-24(29)22-15-17-4-1-2-7-21(17)32-22/h1-11,14,22H,12-13,15H2,(H,26,28)(H,27,29)(H2,25,30,31)
InChIKeyIJGDDHLVUCPCAT-UHFFFAOYSA-N
XLogP2.25
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089481
N-[3-(3-aminopropylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 119406678
3-[(2-methylcyclopropanecarbonyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 55650589
6-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]hexanoic acid
CID 119352210
N-[3-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55793040
N-[3-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55868914
N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18140061
3-(2-methylpropanoylamino)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 1308646
N-[3-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55837627
N-[3-(3-cyclohexyloxypropylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55821329
5-bromo-N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55771554
N-[3-[2-(3-methoxyphenoxy)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55792953

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 55792440) is N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(NC(=O)C3Cc4ccccc4O3)c2)cc1.
What is the InChIKey of N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is IJGDDHLVUCPCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S/c25-33(30,31)20-10-8-16(9-11-20)12-13-26-23(28)18-5-3-6-19(14-18)27-24(29)22-15-17-4-1-2-7-21(17)32-22/h1-11,14,22H,12-13,15H2,(H,26,28)(H,27,29)(H2,25,30,31).
What are the key properties of N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 465.53 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55792440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).