4-methyl-N-[2-(2-propylsulfonylethylamino)ethyl]benzamide

C15H24N2O3S — CID 106723308

IUPAC4-methyl-N-[2-(2-propylsulfonylethylamino)ethyl]benzamide
SMILESCCCS(=O)(=O)CCNCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C15H24N2O3S/c1-3-11-21(19,20)12-10-16-8-9-17-15(18)14-6-4-13(2)5-7-14/h4-7,16H,3,8-12H2,1-2H3,(H,17,18)
InChIKeyMCUMABRKQZLODO-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.14
Rot. Bonds9

About 4-methyl-N-[2-(2-propylsulfonylethylamino)ethyl]benzamide

4-methyl-N-[2-(2-propylsulfonylethylamino)ethyl]benzamide (PubChem CID 106723308) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-methyl-N-[2-(2-propylsulfonylethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-(2-propylsulfonylethylamino)ethyl]benzamide
PubChem CID106723308
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-methyl-N-[2-(2-propylsulfonylethylamino)ethyl]benzamide
SMILESCCCS(=O)(=O)CCNCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C15H24N2O3S/c1-3-11-21(19,20)12-10-16-8-9-17-15(18)14-6-4-13(2)5-7-14/h4-7,16H,3,8-12H2,1-2H3,(H,17,18)
InChIKeyMCUMABRKQZLODO-UHFFFAOYSA-N
XLogP1.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 54880787
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N-[2-[(2-ethyl-2-hydroxybutyl)amino]ethyl]-4-methylbenzamide
CID 114492846
N-[2-(2-cyanoethylamino)ethyl]-4-methylbenzamide
CID 54880736
methyl 3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate
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N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
4-(2-ethylsulfonylethylcarbamoyl)benzoic acid
CID 103790305
methyl 2-[(4-methylbenzoyl)amino]ethanesulfonate
CID 130439386
N-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide
CID 15462667

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2-propylsulfonylethylamino)ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-(2-propylsulfonylethylamino)ethyl]benzamide (CID 106723308) is 4-methyl-N-[2-(2-propylsulfonylethylamino)ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-(2-propylsulfonylethylamino)ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-(2-propylsulfonylethylamino)ethyl]benzamide is CCCS(=O)(=O)CCNCCNC(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[2-(2-propylsulfonylethylamino)ethyl]benzamide?
The InChIKey is MCUMABRKQZLODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-11-21(19,20)12-10-16-8-9-17-15(18)14-6-4-13(2)5-7-14/h4-7,16H,3,8-12H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-N-[2-(2-propylsulfonylethylamino)ethyl]benzamide?
4-methyl-N-[2-(2-propylsulfonylethylamino)ethyl]benzamide has a molecular weight of 312.44 g/mol, XLogP of 1.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2-propylsulfonylethylamino)ethyl]benzamide is sourced from PubChem (CID 106723308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).