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

C17H25NO3S — CID 6457597

IUPACN-cyclohexyl-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C17H25NO3S/c1-14-8-10-16(11-9-14)22(20,21)13-12-17(19)18(2)15-6-4-3-5-7-15/h8-11,15H,3-7,12-13H2,1-2H3
InChIKeyDDFIKBQFKCXNNO-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.95
Rot. Bonds5

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

N-cyclohexyl-N-methyl-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 6457597) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID6457597
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC NameN-cyclohexyl-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C17H25NO3S/c1-14-8-10-16(11-9-14)22(20,21)13-12-17(19)18(2)15-6-4-3-5-7-15/h8-11,15H,3-7,12-13H2,1-2H3
InChIKeyDDFIKBQFKCXNNO-UHFFFAOYSA-N
XLogP2.95
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-cyclohexyl-N-methyl-3-(4-methylphenyl)sulfonylpropanamide (CID 6457597) is N-cyclohexyl-N-methyl-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-cyclohexyl-N-methyl-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-N-methyl-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is DDFIKBQFKCXNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-14-8-10-16(11-9-14)22(20,21)13-12-17(19)18(2)15-6-4-3-5-7-15/h8-11,15H,3-7,12-13H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-3-(4-methylphenyl)sulfonylpropanamide?
N-cyclohexyl-N-methyl-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 323.46 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 6457597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).