4-[dimethylsulfamoyl(methyl)amino]-N-pentan-3-ylbenzamide

C15H25N3O3S — CID 53283300

IUPAC4-[dimethylsulfamoyl(methyl)amino]-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H25N3O3S/c1-6-13(7-2)16-15(19)12-8-10-14(11-9-12)18(5)22(20,21)17(3)4/h8-11,13H,6-7H2,1-5H3,(H,16,19)
InChIKeyKLMGARCBGFYDDT-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.85
Rot. Bonds7

About 4-[dimethylsulfamoyl(methyl)amino]-N-pentan-3-ylbenzamide

4-[dimethylsulfamoyl(methyl)amino]-N-pentan-3-ylbenzamide (PubChem CID 53283300) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 4-[dimethylsulfamoyl(methyl)amino]-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name4-[dimethylsulfamoyl(methyl)amino]-N-pentan-3-ylbenzamide
PubChem CID53283300
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name4-[dimethylsulfamoyl(methyl)amino]-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H25N3O3S/c1-6-13(7-2)16-15(19)12-8-10-14(11-9-12)18(5)22(20,21)17(3)4/h8-11,13H,6-7H2,1-5H3,(H,16,19)
InChIKeyKLMGARCBGFYDDT-UHFFFAOYSA-N
XLogP1.85
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[dimethylsulfamoyl(methyl)amino]-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 133161416
4-[dimethylsulfamoyl(methyl)amino]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 100518140
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentan-3-ylbenzamide
CID 53283010
4-[dimethylsulfamoyl(methyl)amino]-N-(4-phenylbutan-2-yl)benzamide
CID 132763060
4-[dimethylsulfamoyl(methyl)amino]-N-(4-ethylphenyl)benzamide
CID 53283203
4-[ethylsulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide
CID 27211679
4-[dimethylsulfamoyl(methyl)amino]-N-phenylbenzamide
CID 53283335
4-[dimethylsulfamoyl(methyl)amino]-N-(4-propan-2-ylphenyl)benzamide
CID 53283134
4-[dimethylsulfamoyl(methyl)amino]-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 92673224
N-(4-chlorophenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 13322356
4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide
CID 762069
4-[dimethylsulfamoyl(methyl)amino]-N-(2-fluorophenyl)benzamide
CID 53283277

Frequently Asked Questions

What is the IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]-N-pentan-3-ylbenzamide?
The IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]-N-pentan-3-ylbenzamide (CID 53283300) is 4-[dimethylsulfamoyl(methyl)amino]-N-pentan-3-ylbenzamide.
What is the SMILES notation for 4-[dimethylsulfamoyl(methyl)amino]-N-pentan-3-ylbenzamide?
The canonical SMILES for 4-[dimethylsulfamoyl(methyl)amino]-N-pentan-3-ylbenzamide is CCC(CC)NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-[dimethylsulfamoyl(methyl)amino]-N-pentan-3-ylbenzamide?
The InChIKey is KLMGARCBGFYDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-6-13(7-2)16-15(19)12-8-10-14(11-9-12)18(5)22(20,21)17(3)4/h8-11,13H,6-7H2,1-5H3,(H,16,19).
What are the key properties of 4-[dimethylsulfamoyl(methyl)amino]-N-pentan-3-ylbenzamide?
4-[dimethylsulfamoyl(methyl)amino]-N-pentan-3-ylbenzamide has a molecular weight of 327.45 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethylsulfamoyl(methyl)amino]-N-pentan-3-ylbenzamide is sourced from PubChem (CID 53283300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).