3-(dimethylsulfamoyl)-4,5-dimethyl-N-pentan-3-ylbenzamide

C16H26N2O3S — CID 78794431

IUPAC3-(dimethylsulfamoyl)-4,5-dimethyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C16H26N2O3S/c1-7-14(8-2)17-16(19)13-9-11(3)12(4)15(10-13)22(20,21)18(5)6/h9-10,14H,7-8H2,1-6H3,(H,17,19)
InChIKeyKDHKPADGFGUOIZ-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.47
Rot. Bonds6

About 3-(dimethylsulfamoyl)-4,5-dimethyl-N-pentan-3-ylbenzamide

3-(dimethylsulfamoyl)-4,5-dimethyl-N-pentan-3-ylbenzamide (PubChem CID 78794431) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4,5-dimethyl-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4,5-dimethyl-N-pentan-3-ylbenzamide
PubChem CID78794431
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name3-(dimethylsulfamoyl)-4,5-dimethyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C16H26N2O3S/c1-7-14(8-2)17-16(19)13-9-11(3)12(4)15(10-13)22(20,21)18(5)6/h9-10,14H,7-8H2,1-6H3,(H,17,19)
InChIKeyKDHKPADGFGUOIZ-UHFFFAOYSA-N
XLogP2.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4,5-dimethylbenzamide
CID 46522058
N-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 30550464
3-(dimethylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-4,5-dimethylbenzamide
CID 134028865
ethyl 3-(dimethylsulfamoyl)-4,5-dimethylbenzoate
CID 86921528
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 99614970
N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 55862606
3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]-4,5-dimethylbenzamide
CID 55685521
3-[butan-2-yl(methyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 43272671
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 134028925
ethyl 2-[[3-(dimethylsulfamoyl)-4,5-dimethylbenzoyl]amino]-1,3-thiazole-4-carboxylate
CID 55374519
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 55835773
2,3-dichloro-5-(pentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 65372770

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-pentan-3-ylbenzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-pentan-3-ylbenzamide (CID 78794431) is 3-(dimethylsulfamoyl)-4,5-dimethyl-N-pentan-3-ylbenzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-pentan-3-ylbenzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-pentan-3-ylbenzamide is CCC(CC)NC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-pentan-3-ylbenzamide?
The InChIKey is KDHKPADGFGUOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-7-14(8-2)17-16(19)13-9-11(3)12(4)15(10-13)22(20,21)18(5)6/h9-10,14H,7-8H2,1-6H3,(H,17,19).
What are the key properties of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-pentan-3-ylbenzamide?
3-(dimethylsulfamoyl)-4,5-dimethyl-N-pentan-3-ylbenzamide has a molecular weight of 326.46 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-pentan-3-ylbenzamide is sourced from PubChem (CID 78794431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).