N-(3-hydroxypentyl)-4-(methylsulfonylmethyl)benzamide

C14H21NO4S — CID 115703580

IUPACN-(3-hydroxypentyl)-4-(methylsulfonylmethyl)benzamide
SMILESCCC(O)CCNC(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C14H21NO4S/c1-3-13(16)8-9-15-14(17)12-6-4-11(5-7-12)10-20(2,18)19/h4-7,13,16H,3,8-10H2,1-2H3,(H,15,17)
InChIKeyVUMUGLNZSMBCTM-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.12
Rot. Bonds7

About N-(3-hydroxypentyl)-4-(methylsulfonylmethyl)benzamide

N-(3-hydroxypentyl)-4-(methylsulfonylmethyl)benzamide (PubChem CID 115703580) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-(3-hydroxypentyl)-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-hydroxypentyl)-4-(methylsulfonylmethyl)benzamide
PubChem CID115703580
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC NameN-(3-hydroxypentyl)-4-(methylsulfonylmethyl)benzamide
SMILESCCC(O)CCNC(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C14H21NO4S/c1-3-13(16)8-9-15-14(17)12-6-4-11(5-7-12)10-20(2,18)19/h4-7,13,16H,3,8-10H2,1-2H3,(H,15,17)
InChIKeyVUMUGLNZSMBCTM-UHFFFAOYSA-N
XLogP1.12
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-hydroxypentyl)benzene-1,4-dicarboxamide
CID 115703395
N-(3-acetamidopropyl)-4-(methylsulfonylmethyl)benzamide
CID 38449785
N-[2-(ethylamino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide
CID 9224687
N-[2-(2-hydroxyethoxy)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 60742768
4-(methylsulfonylmethyl)-N-(2-phenylbutyl)benzamide
CID 51190386
N-(3-hydroxy-2-methylpropyl)-4-(methylsulfonylmethyl)benzamide
CID 65031706
4-(methylsulfonylmethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301361
4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 27648016
N-[2-(4-methoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 27548428
4-(methylsulfonylmethyl)-N-prop-2-enylbenzamide
CID 9442194
N-(3-hydroxypentyl)naphthalene-2-carboxamide
CID 115703584
N-(3-hydroxypentyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 113259378

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypentyl)-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-(3-hydroxypentyl)-4-(methylsulfonylmethyl)benzamide (CID 115703580) is N-(3-hydroxypentyl)-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-(3-hydroxypentyl)-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-(3-hydroxypentyl)-4-(methylsulfonylmethyl)benzamide is CCC(O)CCNC(=O)c1ccc(CS(C)(=O)=O)cc1.
What is the InChIKey of N-(3-hydroxypentyl)-4-(methylsulfonylmethyl)benzamide?
The InChIKey is VUMUGLNZSMBCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-3-13(16)8-9-15-14(17)12-6-4-11(5-7-12)10-20(2,18)19/h4-7,13,16H,3,8-10H2,1-2H3,(H,15,17).
What are the key properties of N-(3-hydroxypentyl)-4-(methylsulfonylmethyl)benzamide?
N-(3-hydroxypentyl)-4-(methylsulfonylmethyl)benzamide has a molecular weight of 299.39 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypentyl)-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 115703580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).