N-[2-(dimethylamino)ethyl]-4-propan-2-ylsulfonylbenzamide

C14H22N2O3S — CID 110764850

IUPACN-[2-(dimethylamino)ethyl]-4-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1ccc(C(=O)NCCN(C)C)cc1
InChIInChI=1S/C14H22N2O3S/c1-11(2)20(18,19)13-7-5-12(6-8-13)14(17)15-9-10-16(3)4/h5-8,11H,9-10H2,1-4H3,(H,15,17)
InChIKeyXJJKGSVLDBEYGP-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.16
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-4-propan-2-ylsulfonylbenzamide

N-[2-(dimethylamino)ethyl]-4-propan-2-ylsulfonylbenzamide (PubChem CID 110764850) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-propan-2-ylsulfonylbenzamide
PubChem CID110764850
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[2-(dimethylamino)ethyl]-4-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1ccc(C(=O)NCCN(C)C)cc1
InChIInChI=1S/C14H22N2O3S/c1-11(2)20(18,19)13-7-5-12(6-8-13)14(17)15-9-10-16(3)4/h5-8,11H,9-10H2,1-4H3,(H,15,17)
InChIKeyXJJKGSVLDBEYGP-UHFFFAOYSA-N
XLogP1.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-oxo-3-(propan-2-ylamino)propyl]-4-propan-2-ylsulfonylbenzamide
CID 51089057
N-methyl-N-propan-2-yl-4-[[(4-propan-2-ylsulfonylbenzoyl)amino]methyl]benzamide
CID 55760436
N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide
CID 107019569
4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide
CID 109058420
4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide
CID 24701967
N-[2-[di(propan-2-yl)amino]ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 24560133
N-(2-methoxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51297875
4-[(2-chlorophenyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 4793513
4-[2-(dimethylamino)ethylsulfamoyl]-N-pentylbenzamide
CID 109060155
N-butyl-N-methyl-4-propan-2-ylsulfonylbenzamide
CID 110764877
N-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 109060082
N-(4-methylpentyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 33076936

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-propan-2-ylsulfonylbenzamide (CID 110764850) is N-[2-(dimethylamino)ethyl]-4-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-propan-2-ylsulfonylbenzamide is CC(C)S(=O)(=O)c1ccc(C(=O)NCCN(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-propan-2-ylsulfonylbenzamide?
The InChIKey is XJJKGSVLDBEYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11(2)20(18,19)13-7-5-12(6-8-13)14(17)15-9-10-16(3)4/h5-8,11H,9-10H2,1-4H3,(H,15,17).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-propan-2-ylsulfonylbenzamide?
N-[2-(dimethylamino)ethyl]-4-propan-2-ylsulfonylbenzamide has a molecular weight of 298.41 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 110764850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).