N-[2-(4-methylphenyl)sulfonylethyl]-2-phenylacetamide

C17H19NO3S — CID 1471350

IUPACN-[2-(4-methylphenyl)sulfonylethyl]-2-phenylacetamide
SMILESCc1ccc(S(=O)(=O)CCNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H19NO3S/c1-14-7-9-16(10-8-14)22(20,21)12-11-18-17(19)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,18,19)
InChIKeyKKKUDMXVXZJSJM-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.13
Rot. Bonds6

About N-[2-(4-methylphenyl)sulfonylethyl]-2-phenylacetamide

N-[2-(4-methylphenyl)sulfonylethyl]-2-phenylacetamide (PubChem CID 1471350) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)sulfonylethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)sulfonylethyl]-2-phenylacetamide
PubChem CID1471350
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-[2-(4-methylphenyl)sulfonylethyl]-2-phenylacetamide
SMILESCc1ccc(S(=O)(=O)CCNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H19NO3S/c1-14-7-9-16(10-8-14)22(20,21)12-11-18-17(19)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,18,19)
InChIKeyKKKUDMXVXZJSJM-UHFFFAOYSA-N
XLogP2.13
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)sulfonylethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(4-methylphenyl)sulfonylethyl]-2-phenylacetamide (CID 1471350) is N-[2-(4-methylphenyl)sulfonylethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(4-methylphenyl)sulfonylethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(4-methylphenyl)sulfonylethyl]-2-phenylacetamide is Cc1ccc(S(=O)(=O)CCNC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)sulfonylethyl]-2-phenylacetamide?
The InChIKey is KKKUDMXVXZJSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-14-7-9-16(10-8-14)22(20,21)12-11-18-17(19)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,18,19).
What are the key properties of N-[2-(4-methylphenyl)sulfonylethyl]-2-phenylacetamide?
N-[2-(4-methylphenyl)sulfonylethyl]-2-phenylacetamide has a molecular weight of 317.41 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)sulfonylethyl]-2-phenylacetamide is sourced from PubChem (CID 1471350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).