N-[2-[[3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzoyl]amino]ethyl]furan-2-carboxamide

C23H25N3O6S — CID 24660944

IUPACN-[2-[[3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzoyl]amino]ethyl]furan-2-carboxamide
SMILESCCc1ccc(NS(=O)(=O)c2cc(C(=O)NCCNC(=O)c3ccco3)ccc2OC)cc1
InChIInChI=1S/C23H25N3O6S/c1-3-16-6-9-18(10-7-16)26-33(29,30)21-15-17(8-11-19(21)31-2)22(27)24-12-13-25-23(28)20-5-4-14-32-20/h4-11,14-15,26H,3,12-13H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyAQCUZRJUODPWBS-UHFFFAOYSA-N
MW471.54 g/mol
LogP2.81
Rot. Bonds10

About N-[2-[[3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzoyl]amino]ethyl]furan-2-carboxamide

N-[2-[[3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzoyl]amino]ethyl]furan-2-carboxamide (PubChem CID 24660944) has the molecular formula C23H25N3O6S and a molecular weight of 471.54 g/mol. Its IUPAC name is N-[2-[[3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzoyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzoyl]amino]ethyl]furan-2-carboxamide
PubChem CID24660944
Molecular FormulaC23H25N3O6S
Molecular Weight471.54 g/mol
Exact Mass471.15
IUPAC NameN-[2-[[3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzoyl]amino]ethyl]furan-2-carboxamide
SMILESCCc1ccc(NS(=O)(=O)c2cc(C(=O)NCCNC(=O)c3ccco3)ccc2OC)cc1
InChIInChI=1S/C23H25N3O6S/c1-3-16-6-9-18(10-7-16)26-33(29,30)21-15-17(8-11-19(21)31-2)22(27)24-12-13-25-23(28)20-5-4-14-32-20/h4-11,14-15,26H,3,12-13H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyAQCUZRJUODPWBS-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
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

3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 24538441
N-(furan-2-ylmethyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9314217
N-[2-[(4-ethylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 134052250
N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide
CID 24536279
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 17489130
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(3-methylphenyl)benzamide
CID 26537931
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide
CID 24595720
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55960480
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 24537959
3-[[4-[2-(diethylazaniumyl)ethylcarbamoyl]phenyl]sulfamoyl]-4-methoxybenzoate
CID 41153424
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 37244496
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 55348301

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzoyl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzoyl]amino]ethyl]furan-2-carboxamide (CID 24660944) is N-[2-[[3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzoyl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzoyl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzoyl]amino]ethyl]furan-2-carboxamide is CCc1ccc(NS(=O)(=O)c2cc(C(=O)NCCNC(=O)c3ccco3)ccc2OC)cc1.
What is the InChIKey of N-[2-[[3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzoyl]amino]ethyl]furan-2-carboxamide?
The InChIKey is AQCUZRJUODPWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6S/c1-3-16-6-9-18(10-7-16)26-33(29,30)21-15-17(8-11-19(21)31-2)22(27)24-12-13-25-23(28)20-5-4-14-32-20/h4-11,14-15,26H,3,12-13H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-[[3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzoyl]amino]ethyl]furan-2-carboxamide?
N-[2-[[3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzoyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 471.54 g/mol, XLogP of 2.81, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzoyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 24660944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).