4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[3-(methylamino)propyl]benzamide

C19H25N3O4S — CID 119433863

IUPAC4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1
InChIInChI=1S/C19H25N3O4S/c1-20-13-6-14-21-19(23)15-9-11-16(12-10-15)27(24,25)22(2)17-7-4-5-8-18(17)26-3/h4-5,7-12,20H,6,13-14H2,1-3H3,(H,21,23)
InChIKeyKGWKJAUUIVUCQI-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.86
Rot. Bonds9

About 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[3-(methylamino)propyl]benzamide

4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[3-(methylamino)propyl]benzamide (PubChem CID 119433863) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[3-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[3-(methylamino)propyl]benzamide
PubChem CID119433863
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1
InChIInChI=1S/C19H25N3O4S/c1-20-13-6-14-21-19(23)15-9-11-16(12-10-15)27(24,25)22(2)17-7-4-5-8-18(17)26-3/h4-5,7-12,20H,6,13-14H2,1-3H3,(H,21,23)
InChIKeyKGWKJAUUIVUCQI-UHFFFAOYSA-N
XLogP1.86
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide;hydrochloride
CID 119408674
N-hexyl-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 8886328
N-[4-(4-fluorophenoxy)butyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55446636
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide
CID 27298108
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837936
N-(cyclopropylmethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 34821290
N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 4787817
N-methoxy-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 17476225
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide
CID 46635569
4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]carbamoyl]-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide
CID 24661370
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 3254854
ethyl 1-[[4-[(2-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]cyclohexane-1-carboxylate
CID 55969332

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[3-(methylamino)propyl]benzamide?
The IUPAC name of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[3-(methylamino)propyl]benzamide (CID 119433863) is 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[3-(methylamino)propyl]benzamide.
What is the SMILES notation for 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[3-(methylamino)propyl]benzamide?
The canonical SMILES for 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[3-(methylamino)propyl]benzamide is CNCCCNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1.
What is the InChIKey of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[3-(methylamino)propyl]benzamide?
The InChIKey is KGWKJAUUIVUCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-20-13-6-14-21-19(23)15-9-11-16(12-10-15)27(24,25)22(2)17-7-4-5-8-18(17)26-3/h4-5,7-12,20H,6,13-14H2,1-3H3,(H,21,23).
What are the key properties of 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[3-(methylamino)propyl]benzamide?
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[3-(methylamino)propyl]benzamide has a molecular weight of 391.49 g/mol, XLogP of 1.86, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)-methylsulfamoyl]-N-[3-(methylamino)propyl]benzamide is sourced from PubChem (CID 119433863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).