4-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide

C18H22N2O4S — CID 109059915

IUPAC4-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide
SMILESCOCCCNS(=O)(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-20(16-7-4-3-5-8-16)18(21)15-9-11-17(12-10-15)25(22,23)19-13-6-14-24-2/h3-5,7-12,19H,6,13-14H2,1-2H3
InChIKeyIBGOIYGHWFCGBG-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.28
Rot. Bonds8

About 4-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide

4-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide (PubChem CID 109059915) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide
PubChem CID109059915
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name4-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide
SMILESCOCCCNS(=O)(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-20(16-7-4-3-5-8-16)18(21)15-9-11-17(12-10-15)25(22,23)19-13-6-14-24-2/h3-5,7-12,19H,6,13-14H2,1-2H3
InChIKeyIBGOIYGHWFCGBG-UHFFFAOYSA-N
XLogP2.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 109063753
N-methyl-N-phenyl-4-(propylsulfamoyl)benzamide
CID 109058037
2-[[4-(2-methoxyethylsulfamoyl)benzoyl]-methylamino]acetic acid
CID 119172393
3-benzamido-N-[4-(3-methoxypropylsulfamoyl)phenyl]benzamide
CID 3331259
4-(cyclopropanecarbonyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 82165049
N-(furan-2-ylmethyl)-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059880
N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059892
N-(3-methoxypropyl)-4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide
CID 54835535
4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 4619228
4-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]benzoic acid
CID 62843991
3-(3-methoxypropylsulfamoyl)benzoate
CID 36691372
4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-phenylbenzamide
CID 51161114

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide?
The IUPAC name of 4-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide (CID 109059915) is 4-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 4-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide?
The canonical SMILES for 4-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide is COCCCNS(=O)(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of 4-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide?
The InChIKey is IBGOIYGHWFCGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-20(16-7-4-3-5-8-16)18(21)15-9-11-17(12-10-15)25(22,23)19-13-6-14-24-2/h3-5,7-12,19H,6,13-14H2,1-2H3.
What are the key properties of 4-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide?
4-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide has a molecular weight of 362.45 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 109059915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).