3-(dimethylamino)-N-(2-ethyl-2-methylsulfonylbutyl)benzamide

C16H26N2O3S — CID 71989278

IUPAC3-(dimethylamino)-N-(2-ethyl-2-methylsulfonylbutyl)benzamide
SMILESCCC(CC)(CNC(=O)c1cccc(N(C)C)c1)S(C)(=O)=O
InChIInChI=1S/C16H26N2O3S/c1-6-16(7-2,22(5,20)21)12-17-15(19)13-9-8-10-14(11-13)18(3)4/h8-11H,6-7,12H2,1-5H3,(H,17,19)
InChIKeyUZONFOMDUGJSOJ-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.09
Rot. Bonds7

About 3-(dimethylamino)-N-(2-ethyl-2-methylsulfonylbutyl)benzamide

3-(dimethylamino)-N-(2-ethyl-2-methylsulfonylbutyl)benzamide (PubChem CID 71989278) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(2-ethyl-2-methylsulfonylbutyl)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(2-ethyl-2-methylsulfonylbutyl)benzamide
PubChem CID71989278
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name3-(dimethylamino)-N-(2-ethyl-2-methylsulfonylbutyl)benzamide
SMILESCCC(CC)(CNC(=O)c1cccc(N(C)C)c1)S(C)(=O)=O
InChIInChI=1S/C16H26N2O3S/c1-6-16(7-2,22(5,20)21)12-17-15(19)13-9-8-10-14(11-13)18(3)4/h8-11H,6-7,12H2,1-5H3,(H,17,19)
InChIKeyUZONFOMDUGJSOJ-UHFFFAOYSA-N
XLogP2.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-N-[3-[methyl(methylsulfonyl)amino]propyl]benzamide
CID 46434078
N-(2,2-diethoxyethyl)-3-(dimethylamino)benzamide
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3-(dimethylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 30604269
3-(dimethylamino)-N-[(2R)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]benzamide
CID 95984312
3-(dimethylamino)-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 111485472
N-(2-chloropropyl)-3-(dimethylamino)benzamide
CID 114296505
N-(2-ethyl-2-methylsulfonylbutyl)indolizine-2-carboxamide
CID 71987074
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-(dimethylamino)benzamide
CID 71788754
N-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide
CID 7922599
2-[[[3-(dimethylamino)benzoyl]amino]methyl]butanoic acid
CID 65217823
3-(dimethylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231911
4-[[3-(dimethylamino)benzoyl]amino]butanoic acid
CID 43089726

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(2-ethyl-2-methylsulfonylbutyl)benzamide?
The IUPAC name of 3-(dimethylamino)-N-(2-ethyl-2-methylsulfonylbutyl)benzamide (CID 71989278) is 3-(dimethylamino)-N-(2-ethyl-2-methylsulfonylbutyl)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-(2-ethyl-2-methylsulfonylbutyl)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-(2-ethyl-2-methylsulfonylbutyl)benzamide is CCC(CC)(CNC(=O)c1cccc(N(C)C)c1)S(C)(=O)=O.
What is the InChIKey of 3-(dimethylamino)-N-(2-ethyl-2-methylsulfonylbutyl)benzamide?
The InChIKey is UZONFOMDUGJSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-6-16(7-2,22(5,20)21)12-17-15(19)13-9-8-10-14(11-13)18(3)4/h8-11H,6-7,12H2,1-5H3,(H,17,19).
What are the key properties of 3-(dimethylamino)-N-(2-ethyl-2-methylsulfonylbutyl)benzamide?
3-(dimethylamino)-N-(2-ethyl-2-methylsulfonylbutyl)benzamide has a molecular weight of 326.46 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(2-ethyl-2-methylsulfonylbutyl)benzamide is sourced from PubChem (CID 71989278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).