3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide

C20H22FNO3S — CID 152976203

IUPAC3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide
SMILESCc1cc(F)cc(NC(=O)c2cccc(S(=O)(=O)CC3CCCC3)c2)c1
InChIInChI=1S/C20H22FNO3S/c1-14-9-17(21)12-18(10-14)22-20(23)16-7-4-8-19(11-16)26(24,25)13-15-5-2-3-6-15/h4,7-12,15H,2-3,5-6,13H2,1H3,(H,22,23)
InChIKeyUTLRAKBHEOFUKF-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.35
Rot. Bonds5

About 3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide

3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide (PubChem CID 152976203) has the molecular formula C20H22FNO3S and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide.

Molecular Properties

Compound Name3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide
PubChem CID152976203
Molecular FormulaC20H22FNO3S
Molecular Weight375.47 g/mol
Exact Mass375.13
IUPAC Name3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide
SMILESCc1cc(F)cc(NC(=O)c2cccc(S(=O)(=O)CC3CCCC3)c2)c1
InChIInChI=1S/C20H22FNO3S/c1-14-9-17(21)12-18(10-14)22-20(23)16-7-4-8-19(11-16)26(24,25)13-15-5-2-3-6-15/h4,7-12,15H,2-3,5-6,13H2,1H3,(H,22,23)
InChIKeyUTLRAKBHEOFUKF-UHFFFAOYSA-N
XLogP4.35
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide?
The IUPAC name of 3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide (CID 152976203) is 3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide.
What is the SMILES notation for 3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide?
The canonical SMILES for 3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide is Cc1cc(F)cc(NC(=O)c2cccc(S(=O)(=O)CC3CCCC3)c2)c1.
What is the InChIKey of 3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide?
The InChIKey is UTLRAKBHEOFUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3S/c1-14-9-17(21)12-18(10-14)22-20(23)16-7-4-8-19(11-16)26(24,25)13-15-5-2-3-6-15/h4,7-12,15H,2-3,5-6,13H2,1H3,(H,22,23).
What are the key properties of 3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide?
3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide has a molecular weight of 375.47 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethylsulfonyl)-N-(3-fluoro-5-methylphenyl)benzamide is sourced from PubChem (CID 152976203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).