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

C16H23NO4S — CID 3240786

IUPACN-cyclohexyl-3-(4-methoxyphenyl)sulfonylpropanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C16H23NO4S/c1-21-14-7-9-15(10-8-14)22(19,20)12-11-16(18)17-13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3,(H,17,18)
InChIKeyGDBOKVPZCIJLBC-UHFFFAOYSA-N
MW325.43 g/mol
LogP2.31
Rot. Bonds6

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

N-cyclohexyl-3-(4-methoxyphenyl)sulfonylpropanamide (PubChem CID 3240786) has the molecular formula C16H23NO4S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-cyclohexyl-3-(4-methoxyphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(4-methoxyphenyl)sulfonylpropanamide
PubChem CID3240786
Molecular FormulaC16H23NO4S
Molecular Weight325.43 g/mol
Exact Mass325.13
IUPAC NameN-cyclohexyl-3-(4-methoxyphenyl)sulfonylpropanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C16H23NO4S/c1-21-14-7-9-15(10-8-14)22(19,20)12-11-16(18)17-13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3,(H,17,18)
InChIKeyGDBOKVPZCIJLBC-UHFFFAOYSA-N
XLogP2.31
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(4-methoxyphenyl)sulfonylpropanamide?
The IUPAC name of N-cyclohexyl-3-(4-methoxyphenyl)sulfonylpropanamide (CID 3240786) is N-cyclohexyl-3-(4-methoxyphenyl)sulfonylpropanamide.
What is the SMILES notation for N-cyclohexyl-3-(4-methoxyphenyl)sulfonylpropanamide?
The canonical SMILES for N-cyclohexyl-3-(4-methoxyphenyl)sulfonylpropanamide is COc1ccc(S(=O)(=O)CCC(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-3-(4-methoxyphenyl)sulfonylpropanamide?
The InChIKey is GDBOKVPZCIJLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4S/c1-21-14-7-9-15(10-8-14)22(19,20)12-11-16(18)17-13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3,(H,17,18).
What are the key properties of N-cyclohexyl-3-(4-methoxyphenyl)sulfonylpropanamide?
N-cyclohexyl-3-(4-methoxyphenyl)sulfonylpropanamide has a molecular weight of 325.43 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(4-methoxyphenyl)sulfonylpropanamide is sourced from PubChem (CID 3240786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).