N-cyclopropyl-N-(2-hydroxyethyl)-4-(methylsulfonylmethyl)benzamide

C14H19NO4S — CID 43576669

IUPACN-cyclopropyl-N-(2-hydroxyethyl)-4-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)N(CCO)C2CC2)cc1
InChIInChI=1S/C14H19NO4S/c1-20(18,19)10-11-2-4-12(5-3-11)14(17)15(8-9-16)13-6-7-13/h2-5,13,16H,6-10H2,1H3
InChIKeyIZHLNISGKAFKQW-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.83
Rot. Bonds6

About N-cyclopropyl-N-(2-hydroxyethyl)-4-(methylsulfonylmethyl)benzamide

N-cyclopropyl-N-(2-hydroxyethyl)-4-(methylsulfonylmethyl)benzamide (PubChem CID 43576669) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-hydroxyethyl)-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-hydroxyethyl)-4-(methylsulfonylmethyl)benzamide
PubChem CID43576669
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC NameN-cyclopropyl-N-(2-hydroxyethyl)-4-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)N(CCO)C2CC2)cc1
InChIInChI=1S/C14H19NO4S/c1-20(18,19)10-11-2-4-12(5-3-11)14(17)15(8-9-16)13-6-7-13/h2-5,13,16H,6-10H2,1H3
InChIKeyIZHLNISGKAFKQW-UHFFFAOYSA-N
XLogP0.83
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 78853833
N-cyclobutyl-4-ethyl-N-(2-hydroxyethyl)benzamide
CID 102684931
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
4-(bromomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)benzamide
CID 102851284
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide
CID 43576906
methyl 4-[[cyclopropyl(2-hydroxyethyl)sulfamoyl]methyl]benzoate
CID 43577601
N-(2-chloroethyl)-N-cyclopropyl-4-methylsulfonylbenzamide
CID 63394709
N-cyclopentyl-N-(2-hydroxyethyl)-4-methylsulfanylbenzamide
CID 54994461
N-cyclobutyl-4-(hydroxymethyl)-N-(3-hydroxypropyl)benzamide
CID 102866633
3-amino-4-bromo-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 61095056
N-cyclopropyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110021729
N-cyclopropyl-6-(dimethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 43576622

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-4-(methylsulfonylmethyl)benzamide (CID 43576669) is N-cyclopropyl-N-(2-hydroxyethyl)-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-(2-hydroxyethyl)-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-N-(2-hydroxyethyl)-4-(methylsulfonylmethyl)benzamide is CS(=O)(=O)Cc1ccc(C(=O)N(CCO)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-(2-hydroxyethyl)-4-(methylsulfonylmethyl)benzamide?
The InChIKey is IZHLNISGKAFKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-20(18,19)10-11-2-4-12(5-3-11)14(17)15(8-9-16)13-6-7-13/h2-5,13,16H,6-10H2,1H3.
What are the key properties of N-cyclopropyl-N-(2-hydroxyethyl)-4-(methylsulfonylmethyl)benzamide?
N-cyclopropyl-N-(2-hydroxyethyl)-4-(methylsulfonylmethyl)benzamide has a molecular weight of 297.38 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-hydroxyethyl)-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 43576669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).