3-(4-methoxyphenyl)sulfonyl-N-[2-(4-methylphenyl)ethyl]propanamide

C19H23NO4S — CID 4290528

IUPAC3-(4-methoxyphenyl)sulfonyl-N-[2-(4-methylphenyl)ethyl]propanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)NCCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H23NO4S/c1-15-3-5-16(6-4-15)11-13-20-19(21)12-14-25(22,23)18-9-7-17(24-2)8-10-18/h3-10H,11-14H2,1-2H3,(H,20,21)
InChIKeyPCAMDPIZYVLVEN-UHFFFAOYSA-N
MW361.46 g/mol
LogP2.53
Rot. Bonds8

About 3-(4-methoxyphenyl)sulfonyl-N-[2-(4-methylphenyl)ethyl]propanamide

3-(4-methoxyphenyl)sulfonyl-N-[2-(4-methylphenyl)ethyl]propanamide (PubChem CID 4290528) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfonyl-N-[2-(4-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfonyl-N-[2-(4-methylphenyl)ethyl]propanamide
PubChem CID4290528
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name3-(4-methoxyphenyl)sulfonyl-N-[2-(4-methylphenyl)ethyl]propanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)NCCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H23NO4S/c1-15-3-5-16(6-4-15)11-13-20-19(21)12-14-25(22,23)18-9-7-17(24-2)8-10-18/h3-10H,11-14H2,1-2H3,(H,20,21)
InChIKeyPCAMDPIZYVLVEN-UHFFFAOYSA-N
XLogP2.53
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfonyl-N-[2-(4-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)sulfonyl-N-[2-(4-methylphenyl)ethyl]propanamide (CID 4290528) is 3-(4-methoxyphenyl)sulfonyl-N-[2-(4-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfonyl-N-[2-(4-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)sulfonyl-N-[2-(4-methylphenyl)ethyl]propanamide is COc1ccc(S(=O)(=O)CCC(=O)NCCc2ccc(C)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfonyl-N-[2-(4-methylphenyl)ethyl]propanamide?
The InChIKey is PCAMDPIZYVLVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-15-3-5-16(6-4-15)11-13-20-19(21)12-14-25(22,23)18-9-7-17(24-2)8-10-18/h3-10H,11-14H2,1-2H3,(H,20,21).
What are the key properties of 3-(4-methoxyphenyl)sulfonyl-N-[2-(4-methylphenyl)ethyl]propanamide?
3-(4-methoxyphenyl)sulfonyl-N-[2-(4-methylphenyl)ethyl]propanamide has a molecular weight of 361.46 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfonyl-N-[2-(4-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 4290528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).