N-butyl-4-[(2-methoxy-5-methylphenyl)sulfamoyl]benzamide

C19H24N2O4S — CID 109058641

IUPACN-butyl-4-[(2-methoxy-5-methylphenyl)sulfamoyl]benzamide
SMILESCCCCNC(=O)c1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1
InChIInChI=1S/C19H24N2O4S/c1-4-5-12-20-19(22)15-7-9-16(10-8-15)26(23,24)21-17-13-14(2)6-11-18(17)25-3/h6-11,13,21H,4-5,12H2,1-3H3,(H,20,22)
InChIKeyHXLAFLGRGFCJAH-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.33
Rot. Bonds8

About N-butyl-4-[(2-methoxy-5-methylphenyl)sulfamoyl]benzamide

N-butyl-4-[(2-methoxy-5-methylphenyl)sulfamoyl]benzamide (PubChem CID 109058641) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-butyl-4-[(2-methoxy-5-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-butyl-4-[(2-methoxy-5-methylphenyl)sulfamoyl]benzamide
PubChem CID109058641
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-butyl-4-[(2-methoxy-5-methylphenyl)sulfamoyl]benzamide
SMILESCCCCNC(=O)c1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1
InChIInChI=1S/C19H24N2O4S/c1-4-5-12-20-19(22)15-7-9-16(10-8-15)26(23,24)21-17-13-14(2)6-11-18(17)25-3/h6-11,13,21H,4-5,12H2,1-3H3,(H,20,22)
InChIKeyHXLAFLGRGFCJAH-UHFFFAOYSA-N
XLogP3.33
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,4-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109061332
N,N-diethyl-4-[(2-methoxy-5-methylphenyl)sulfamoyl]benzamide
CID 47946585
N-[3-(dimethylamino)propyl]-4-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 109060255
N-butyl-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 99950233
N-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 109062590
4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 4126284
N-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 9414249
4-[(3-methylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109061330
1-N-(2-methoxyethyl)-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109045188
4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 43017529
4-[(2-methoxyphenyl)sulfamoyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 26861429
N-[2-methoxy-5-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 7343262

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[(2-methoxy-5-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-butyl-4-[(2-methoxy-5-methylphenyl)sulfamoyl]benzamide (CID 109058641) is N-butyl-4-[(2-methoxy-5-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-butyl-4-[(2-methoxy-5-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-butyl-4-[(2-methoxy-5-methylphenyl)sulfamoyl]benzamide is CCCCNC(=O)c1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1.
What is the InChIKey of N-butyl-4-[(2-methoxy-5-methylphenyl)sulfamoyl]benzamide?
The InChIKey is HXLAFLGRGFCJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-4-5-12-20-19(22)15-7-9-16(10-8-15)26(23,24)21-17-13-14(2)6-11-18(17)25-3/h6-11,13,21H,4-5,12H2,1-3H3,(H,20,22).
What are the key properties of N-butyl-4-[(2-methoxy-5-methylphenyl)sulfamoyl]benzamide?
N-butyl-4-[(2-methoxy-5-methylphenyl)sulfamoyl]benzamide has a molecular weight of 376.48 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[(2-methoxy-5-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 109058641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).