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

C14H22N2O3S — CID 134023630

IUPACN-ethyl-N-methyl-3-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCCN(C)C(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1
InChIInChI=1S/C14H22N2O3S/c1-6-15(4)14(17)12-8-7-9-13(10-12)20(18,19)16(5)11(2)3/h7-11H,6H2,1-5H3
InChIKeyPHHVPVGUTDIGBB-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.81
Rot. Bonds5

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

N-ethyl-N-methyl-3-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 134023630) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-ethyl-N-methyl-3-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-3-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID134023630
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-ethyl-N-methyl-3-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCCN(C)C(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1
InChIInChI=1S/C14H22N2O3S/c1-6-15(4)14(17)12-8-7-9-13(10-12)20(18,19)16(5)11(2)3/h7-11H,6H2,1-5H3
InChIKeyPHHVPVGUTDIGBB-UHFFFAOYSA-N
XLogP1.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
CID 30878906
N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 26619521
2-[[3-[ethyl(methyl)carbamoyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 122067792
3-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 26913083
N-(2-amino-2-ethylbutyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 119641846
N-(2-aminoethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
CID 119383832
2-benzoyloxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 30547919
3-acetyl-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 43430441
N-(2-ethylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 8839459
N-(1-aminopropan-2-yl)-N-methyl-3-propanoylbenzenesulfonamide
CID 119983014
ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide
CID 170603252
N-[2-(dimethylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 9226973

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-ethyl-N-methyl-3-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 134023630) is N-ethyl-N-methyl-3-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-ethyl-N-methyl-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-ethyl-N-methyl-3-[methyl(propan-2-yl)sulfamoyl]benzamide is CCN(C)C(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1.
What is the InChIKey of N-ethyl-N-methyl-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is PHHVPVGUTDIGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-6-15(4)14(17)12-8-7-9-13(10-12)20(18,19)16(5)11(2)3/h7-11H,6H2,1-5H3.
What are the key properties of N-ethyl-N-methyl-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-ethyl-N-methyl-3-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 298.41 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 134023630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).