N-cyclopentyloxy-3-methylsulfonylbenzamide

C13H17NO4S — CID 83203011

IUPACN-cyclopentyloxy-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NOC2CCCC2)c1
InChIInChI=1S/C13H17NO4S/c1-19(16,17)12-8-4-5-10(9-12)13(15)14-18-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyJBCXTFSPVWKXKO-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.69
Rot. Bonds4

About N-cyclopentyloxy-3-methylsulfonylbenzamide

N-cyclopentyloxy-3-methylsulfonylbenzamide (PubChem CID 83203011) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-cyclopentyloxy-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopentyloxy-3-methylsulfonylbenzamide
PubChem CID83203011
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC NameN-cyclopentyloxy-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NOC2CCCC2)c1
InChIInChI=1S/C13H17NO4S/c1-19(16,17)12-8-4-5-10(9-12)13(15)14-18-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyJBCXTFSPVWKXKO-UHFFFAOYSA-N
XLogP1.69
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-3-methylsulfonylbenzamide
CID 18105935
N-cyclopentyloxy-3-(2-methoxyethoxy)benzamide
CID 75442730
N-hydroxy-3-methylsulfonylbenzamide
CID 24692724
N-[(1S,2S)-2-tert-butylcyclohexyl]-3-methylsulfonylbenzamide
CID 39634709
N-(4-aminocyclohexyl)-3-methylsulfonylbenzamide;hydrochloride
CID 119478074
N-bromo-3-methylsulfonylbenzamide
CID 174925666
2-cyclopropyl-2-[(3-methylsulfonylbenzoyl)amino]propanoic acid
CID 43341336
N-cyclopentyloxy-3-hydroxy-4-methylbenzamide
CID 83235676
N-(2-amino-2-cyclopropylethyl)-3-methylsulfonylbenzamide
CID 55243718
methyl 3-methylsulfonylbenzoate
CID 6432252
N-(azetidin-3-yl)-3-methylsulfonylbenzamide
CID 66186520
methyl (2R)-2-[(3-methylsulfonylbenzoyl)amino]propanoate
CID 113257877

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-3-methylsulfonylbenzamide?
The IUPAC name of N-cyclopentyloxy-3-methylsulfonylbenzamide (CID 83203011) is N-cyclopentyloxy-3-methylsulfonylbenzamide.
What is the SMILES notation for N-cyclopentyloxy-3-methylsulfonylbenzamide?
The canonical SMILES for N-cyclopentyloxy-3-methylsulfonylbenzamide is CS(=O)(=O)c1cccc(C(=O)NOC2CCCC2)c1.
What is the InChIKey of N-cyclopentyloxy-3-methylsulfonylbenzamide?
The InChIKey is JBCXTFSPVWKXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-19(16,17)12-8-4-5-10(9-12)13(15)14-18-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,14,15).
What are the key properties of N-cyclopentyloxy-3-methylsulfonylbenzamide?
N-cyclopentyloxy-3-methylsulfonylbenzamide has a molecular weight of 283.35 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-3-methylsulfonylbenzamide is sourced from PubChem (CID 83203011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).