2-ethylsulfonyl-N-(5-hydroxypentyl)-N-methylbenzamide

C15H23NO4S — CID 107202478

IUPAC2-ethylsulfonyl-N-(5-hydroxypentyl)-N-methylbenzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)N(C)CCCCCO
InChIInChI=1S/C15H23NO4S/c1-3-21(19,20)14-10-6-5-9-13(14)15(18)16(2)11-7-4-8-12-17/h5-6,9-10,17H,3-4,7-8,11-12H2,1-2H3
InChIKeyHYCGHXHHUIMNGW-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.71
Rot. Bonds8

About 2-ethylsulfonyl-N-(5-hydroxypentyl)-N-methylbenzamide

2-ethylsulfonyl-N-(5-hydroxypentyl)-N-methylbenzamide (PubChem CID 107202478) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(5-hydroxypentyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(5-hydroxypentyl)-N-methylbenzamide
PubChem CID107202478
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name2-ethylsulfonyl-N-(5-hydroxypentyl)-N-methylbenzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)N(C)CCCCCO
InChIInChI=1S/C15H23NO4S/c1-3-21(19,20)14-10-6-5-9-13(14)15(18)16(2)11-7-4-8-12-17/h5-6,9-10,17H,3-4,7-8,11-12H2,1-2H3
InChIKeyHYCGHXHHUIMNGW-UHFFFAOYSA-N
XLogP1.71
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-hydroxypentyl)-2-iodo-N-methylbenzamide
CID 107199930
5-(2-ethylsulfonyl-N-methylanilino)pentan-1-ol
CID 107203413
N-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylsulfonyl-N-methylbenzamide
CID 31795650
2-ethylsulfonyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 104553452
3-bromo-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107300840
3-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199925
2-ethylsulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 51241861
1-N,2-N-bis(2-hydroxyethyl)-1-N,2-N-dimethylbenzene-1,2-dicarboxamide
CID 54303134
2-ethylsulfonyl-N,N-bis(2-methoxyethyl)benzamide
CID 55435906
1-(2-ethylsulfonylphenyl)ethanone
CID 118020273
2,6-dihydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107329756
2-ethylsulfonylbenzoyl chloride
CID 18978016

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(5-hydroxypentyl)-N-methylbenzamide?
The IUPAC name of 2-ethylsulfonyl-N-(5-hydroxypentyl)-N-methylbenzamide (CID 107202478) is 2-ethylsulfonyl-N-(5-hydroxypentyl)-N-methylbenzamide.
What is the SMILES notation for 2-ethylsulfonyl-N-(5-hydroxypentyl)-N-methylbenzamide?
The canonical SMILES for 2-ethylsulfonyl-N-(5-hydroxypentyl)-N-methylbenzamide is CCS(=O)(=O)c1ccccc1C(=O)N(C)CCCCCO.
What is the InChIKey of 2-ethylsulfonyl-N-(5-hydroxypentyl)-N-methylbenzamide?
The InChIKey is HYCGHXHHUIMNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-3-21(19,20)14-10-6-5-9-13(14)15(18)16(2)11-7-4-8-12-17/h5-6,9-10,17H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-N-(5-hydroxypentyl)-N-methylbenzamide?
2-ethylsulfonyl-N-(5-hydroxypentyl)-N-methylbenzamide has a molecular weight of 313.42 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(5-hydroxypentyl)-N-methylbenzamide is sourced from PubChem (CID 107202478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).