N,4-dimethyl-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide

C14H22N2O4S — CID 80718372

IUPACN,4-dimethyl-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide
SMILESCc1ccc(C(=O)N(C)CCOC(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-10(2)20-8-7-16(4)14(17)12-6-5-11(3)13(9-12)21(15,18)19/h5-6,9-10H,7-8H2,1-4H3,(H2,15,18,19)
InChIKeyZEHAGDMLFKPKID-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.14
Rot. Bonds6

About N,4-dimethyl-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide

N,4-dimethyl-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide (PubChem CID 80718372) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N,4-dimethyl-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide
PubChem CID80718372
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN,4-dimethyl-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide
SMILESCc1ccc(C(=O)N(C)CCOC(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-10(2)20-8-7-16(4)14(17)12-6-5-11(3)13(9-12)21(15,18)19/h5-6,9-10H,7-8H2,1-4H3,(H2,15,18,19)
InChIKeyZEHAGDMLFKPKID-UHFFFAOYSA-N
XLogP1.14
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-hydroxy-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 103873795
5-[2-methoxyethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65370990
N-(2-methoxyethyl)-N,2,4-trimethyl-5-sulfamoylbenzamide
CID 47468920
N-(cyclobutylmethyl)-N,4-dimethyl-3-sulfamoylbenzamide
CID 65387895
5-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80709255
N-(2-methoxyethyl)-N,3,4-trimethylbenzamide
CID 130399829
2-methylpropyl 4-methyl-3-sulfamoylbenzoate
CID 60730483
2-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 80710277
5-[methyl(2-propan-2-yloxyethyl)carbamoyl]pyridine-2-carboxylic acid
CID 80710135
N-[2-(4-fluoroanilino)-2-oxoethyl]-N,4-dimethyl-3-sulfamoylbenzamide
CID 9089681
3-bromo-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80710198
6-hydrazinyl-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 81074943

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide?
The IUPAC name of N,4-dimethyl-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide (CID 80718372) is N,4-dimethyl-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide.
What is the SMILES notation for N,4-dimethyl-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide?
The canonical SMILES for N,4-dimethyl-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide is Cc1ccc(C(=O)N(C)CCOC(C)C)cc1S(N)(=O)=O.
What is the InChIKey of N,4-dimethyl-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide?
The InChIKey is ZEHAGDMLFKPKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-10(2)20-8-7-16(4)14(17)12-6-5-11(3)13(9-12)21(15,18)19/h5-6,9-10H,7-8H2,1-4H3,(H2,15,18,19).
What are the key properties of N,4-dimethyl-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide?
N,4-dimethyl-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide has a molecular weight of 314.41 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 80718372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).