N-cyclohexyl-3-(4-methylphenyl)sulfonylpropanamide

C16H23NO3S — CID 759090

IUPACN-cyclohexyl-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C16H23NO3S/c1-13-7-9-15(10-8-13)21(19,20)12-11-16(18)17-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,17,18)
InChIKeySQFDXVKJRUOIGZ-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.61
Rot. Bonds5

About N-cyclohexyl-3-(4-methylphenyl)sulfonylpropanamide

N-cyclohexyl-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 759090) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-cyclohexyl-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID759090
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC NameN-cyclohexyl-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C16H23NO3S/c1-13-7-9-15(10-8-13)21(19,20)12-11-16(18)17-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,17,18)
InChIKeySQFDXVKJRUOIGZ-UHFFFAOYSA-N
XLogP2.61
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-cyclohexyl-3-(4-methylphenyl)sulfonylpropanamide (CID 759090) is N-cyclohexyl-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-cyclohexyl-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-cyclohexyl-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is SQFDXVKJRUOIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-13-7-9-15(10-8-13)21(19,20)12-11-16(18)17-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,17,18).
What are the key properties of N-cyclohexyl-3-(4-methylphenyl)sulfonylpropanamide?
N-cyclohexyl-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 309.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 759090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).