4-cyclopentylsulfonyl-N-(1-methylcyclohexyl)benzamide

C19H27NO3S — CID 100665401

IUPAC4-cyclopentylsulfonyl-N-(1-methylcyclohexyl)benzamide
SMILESCC1(NC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)CCCCC1
InChIInChI=1S/C19H27NO3S/c1-19(13-5-2-6-14-19)20-18(21)15-9-11-17(12-10-15)24(22,23)16-7-3-4-8-16/h9-12,16H,2-8,13-14H2,1H3,(H,20,21)
InChIKeyHARZZKAUROVEGR-UHFFFAOYSA-N
MW349.50 g/mol
LogP3.86
Rot. Bonds4

About 4-cyclopentylsulfonyl-N-(1-methylcyclohexyl)benzamide

4-cyclopentylsulfonyl-N-(1-methylcyclohexyl)benzamide (PubChem CID 100665401) has the molecular formula C19H27NO3S and a molecular weight of 349.50 g/mol. Its IUPAC name is 4-cyclopentylsulfonyl-N-(1-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-cyclopentylsulfonyl-N-(1-methylcyclohexyl)benzamide
PubChem CID100665401
Molecular FormulaC19H27NO3S
Molecular Weight349.50 g/mol
Exact Mass349.17
IUPAC Name4-cyclopentylsulfonyl-N-(1-methylcyclohexyl)benzamide
SMILESCC1(NC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)CCCCC1
InChIInChI=1S/C19H27NO3S/c1-19(13-5-2-6-14-19)20-18(21)15-9-11-17(12-10-15)24(22,23)16-7-3-4-8-16/h9-12,16H,2-8,13-14H2,1H3,(H,20,21)
InChIKeyHARZZKAUROVEGR-UHFFFAOYSA-N
XLogP3.86
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfonyl-N-(1-methylcyclohexyl)benzamide?
The IUPAC name of 4-cyclopentylsulfonyl-N-(1-methylcyclohexyl)benzamide (CID 100665401) is 4-cyclopentylsulfonyl-N-(1-methylcyclohexyl)benzamide.
What is the SMILES notation for 4-cyclopentylsulfonyl-N-(1-methylcyclohexyl)benzamide?
The canonical SMILES for 4-cyclopentylsulfonyl-N-(1-methylcyclohexyl)benzamide is CC1(NC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)CCCCC1.
What is the InChIKey of 4-cyclopentylsulfonyl-N-(1-methylcyclohexyl)benzamide?
The InChIKey is HARZZKAUROVEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3S/c1-19(13-5-2-6-14-19)20-18(21)15-9-11-17(12-10-15)24(22,23)16-7-3-4-8-16/h9-12,16H,2-8,13-14H2,1H3,(H,20,21).
What are the key properties of 4-cyclopentylsulfonyl-N-(1-methylcyclohexyl)benzamide?
4-cyclopentylsulfonyl-N-(1-methylcyclohexyl)benzamide has a molecular weight of 349.50 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfonyl-N-(1-methylcyclohexyl)benzamide is sourced from PubChem (CID 100665401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).