N-[2-(2-hydroxyethyl)pentyl]-4-methylsulfonylbenzamide

C15H23NO4S — CID 103722829

IUPACN-[2-(2-hydroxyethyl)pentyl]-4-methylsulfonylbenzamide
SMILESCCCC(CCO)CNC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H23NO4S/c1-3-4-12(9-10-17)11-16-15(18)13-5-7-14(8-6-13)21(2,19)20/h5-8,12,17H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyUWDNMYQFACCPIN-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.62
Rot. Bonds8

About N-[2-(2-hydroxyethyl)pentyl]-4-methylsulfonylbenzamide

N-[2-(2-hydroxyethyl)pentyl]-4-methylsulfonylbenzamide (PubChem CID 103722829) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-4-methylsulfonylbenzamide
PubChem CID103722829
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-4-methylsulfonylbenzamide
SMILESCCCC(CCO)CNC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H23NO4S/c1-3-4-12(9-10-17)11-16-15(18)13-5-7-14(8-6-13)21(2,19)20/h5-8,12,17H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyUWDNMYQFACCPIN-UHFFFAOYSA-N
XLogP1.62
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(4-methylsulfonylbenzoyl)amino]methyl]pentanoic acid
CID 65223109
N-[2-(2-hydroxyethyl)pentyl]pyridine-4-carboxamide
CID 111662354
N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide
CID 103722617
4-acetyl-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836399
N-[2-(2-hydroxyethyl)pentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103722801
N-[(2R)-2-(2-hydroxyethyl)pentyl]-3-methyl-4-nitrobenzamide
CID 96525519
N-(4-bromo-2-methylbutyl)-4-methylsulfonylbenzamide
CID 113276150
N-[(2R)-2-ethylpentyl]benzamide
CID 2334822
N-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide
CID 103722744
N-[2-(2-hydroxyethyl)pentyl]-3-iodobenzamide
CID 103722668
N-[2-(2-hydroxyethyl)pentyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 104873176
3-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzamide
CID 103729015

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-4-methylsulfonylbenzamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-4-methylsulfonylbenzamide (CID 103722829) is N-[2-(2-hydroxyethyl)pentyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-4-methylsulfonylbenzamide is CCCC(CCO)CNC(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-4-methylsulfonylbenzamide?
The InChIKey is UWDNMYQFACCPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-3-4-12(9-10-17)11-16-15(18)13-5-7-14(8-6-13)21(2,19)20/h5-8,12,17H,3-4,9-11H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-4-methylsulfonylbenzamide?
N-[2-(2-hydroxyethyl)pentyl]-4-methylsulfonylbenzamide has a molecular weight of 313.42 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 103722829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).