3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide

C14H22N2O3S — CID 30878906

IUPAC3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1
InChIInChI=1S/C14H22N2O3S/c1-5-9-15-14(17)12-7-6-8-13(10-12)20(18,19)16(4)11(2)3/h6-8,10-11H,5,9H2,1-4H3,(H,15,17)
InChIKeyKZPAMKJBNQLWHP-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.86
Rot. Bonds6

About 3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide

3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide (PubChem CID 30878906) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
PubChem CID30878906
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1
InChIInChI=1S/C14H22N2O3S/c1-5-9-15-14(17)12-7-6-8-13(10-12)20(18,19)16(4)11(2)3/h6-8,10-11H,5,9H2,1-4H3,(H,15,17)
InChIKeyKZPAMKJBNQLWHP-UHFFFAOYSA-N
XLogP1.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
CID 119383832
3-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 26913083
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
N-(2-amino-2-ethylbutyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 119641846
N-ethyl-N-methyl-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 134023630
N-[[2-(methanesulfonamido)phenyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55711315
N-[3-(4-methylpiperidin-1-yl)propyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 35415769
N-(2-ethylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 8839459
N-(3-cyclohexyloxypropyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 31719960
N-[4-(4-chloroanilino)-4-oxobutyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55862340
N-[(2-methoxyphenyl)methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26734370
3-(diethylsulfamoyl)-N-[2-(dimethylamino)ethyl]benzamide
CID 2196169

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide?
The IUPAC name of 3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide (CID 30878906) is 3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide.
What is the SMILES notation for 3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide?
The canonical SMILES for 3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide is CCCNC(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1.
What is the InChIKey of 3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide?
The InChIKey is KZPAMKJBNQLWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-5-9-15-14(17)12-7-6-8-13(10-12)20(18,19)16(4)11(2)3/h6-8,10-11H,5,9H2,1-4H3,(H,15,17).
What are the key properties of 3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide?
3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide has a molecular weight of 298.41 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide is sourced from PubChem (CID 30878906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).