N-(furan-2-ylmethyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide

C20H20N2O5S — CID 9314217

IUPACN-(furan-2-ylmethyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H20N2O5S/c1-14-5-8-16(9-6-14)22-28(24,25)19-12-15(7-10-18(19)26-2)20(23)21-13-17-4-3-11-27-17/h3-12,22H,13H2,1-2H3,(H,21,23)
InChIKeyHHBXBSSSYQVJMQ-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.33
Rot. Bonds7

About N-(furan-2-ylmethyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide

N-(furan-2-ylmethyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 9314217) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID9314217
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC NameN-(furan-2-ylmethyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H20N2O5S/c1-14-5-8-16(9-6-14)22-28(24,25)19-12-15(7-10-18(19)26-2)20(23)21-13-17-4-3-11-27-17/h3-12,22H,13H2,1-2H3,(H,21,23)
InChIKeyHHBXBSSSYQVJMQ-UHFFFAOYSA-N
XLogP3.33
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2632905
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 9414541
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55396082
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55960480
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17481816
N-[(4-cyanophenyl)methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 46673405
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55415614
N-[2-[[3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzoyl]amino]ethyl]furan-2-carboxamide
CID 24660944
4-chloro-N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46422535
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300536
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 55348301
4-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55408011

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 9314217) is N-(furan-2-ylmethyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide is COc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is HHBXBSSSYQVJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-14-5-8-16(9-6-14)22-28(24,25)19-12-15(7-10-18(19)26-2)20(23)21-13-17-4-3-11-27-17/h3-12,22H,13H2,1-2H3,(H,21,23).
What are the key properties of N-(furan-2-ylmethyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide?
N-(furan-2-ylmethyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 400.46 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 9314217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).