N-[4-[2-(4-methylphenyl)sulfonylacetyl]phenyl]acetamide

C17H17NO4S — CID 975327

IUPACN-[4-[2-(4-methylphenyl)sulfonylacetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H17NO4S/c1-12-3-9-16(10-4-12)23(21,22)11-17(20)14-5-7-15(8-6-14)18-13(2)19/h3-10H,11H2,1-2H3,(H,18,19)
InChIKeyFNSRXHHLWPWRIV-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.61
Rot. Bonds5

About N-[4-[2-(4-methylphenyl)sulfonylacetyl]phenyl]acetamide

N-[4-[2-(4-methylphenyl)sulfonylacetyl]phenyl]acetamide (PubChem CID 975327) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[4-[2-(4-methylphenyl)sulfonylacetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-methylphenyl)sulfonylacetyl]phenyl]acetamide
PubChem CID975327
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC NameN-[4-[2-(4-methylphenyl)sulfonylacetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H17NO4S/c1-12-3-9-16(10-4-12)23(21,22)11-17(20)14-5-7-15(8-6-14)18-13(2)19/h3-10H,11H2,1-2H3,(H,18,19)
InChIKeyFNSRXHHLWPWRIV-UHFFFAOYSA-N
XLogP2.61
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methylphenyl)sulfonylacetyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(4-methylphenyl)sulfonylacetyl]phenyl]acetamide (CID 975327) is N-[4-[2-(4-methylphenyl)sulfonylacetyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(4-methylphenyl)sulfonylacetyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(4-methylphenyl)sulfonylacetyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)CS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-methylphenyl)sulfonylacetyl]phenyl]acetamide?
The InChIKey is FNSRXHHLWPWRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S/c1-12-3-9-16(10-4-12)23(21,22)11-17(20)14-5-7-15(8-6-14)18-13(2)19/h3-10H,11H2,1-2H3,(H,18,19).
What are the key properties of N-[4-[2-(4-methylphenyl)sulfonylacetyl]phenyl]acetamide?
N-[4-[2-(4-methylphenyl)sulfonylacetyl]phenyl]acetamide has a molecular weight of 331.39 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-methylphenyl)sulfonylacetyl]phenyl]acetamide is sourced from PubChem (CID 975327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).