N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-phenylacetamide

C19H23N3O3S — CID 1018009

IUPACN-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-phenylacetamide
SMILESCS(=O)(=O)N1CCN(c2ccccc2NC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H23N3O3S/c1-26(24,25)22-13-11-21(12-14-22)18-10-6-5-9-17(18)20-19(23)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,20,23)
InChIKeySYEXKBHYZAGRCZ-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.95
Rot. Bonds5

About N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-phenylacetamide

N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-phenylacetamide (PubChem CID 1018009) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-phenylacetamide
PubChem CID1018009
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-phenylacetamide
SMILESCS(=O)(=O)N1CCN(c2ccccc2NC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H23N3O3S/c1-26(24,25)22-13-11-21(12-14-22)18-10-6-5-9-17(18)20-19(23)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,20,23)
InChIKeySYEXKBHYZAGRCZ-UHFFFAOYSA-N
XLogP1.95
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-phenylacetamide?
The IUPAC name of N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-phenylacetamide (CID 1018009) is N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-phenylacetamide is CS(=O)(=O)N1CCN(c2ccccc2NC(=O)Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-phenylacetamide?
The InChIKey is SYEXKBHYZAGRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-26(24,25)22-13-11-21(12-14-22)18-10-6-5-9-17(18)20-19(23)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,20,23).
What are the key properties of N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-phenylacetamide?
N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-phenylacetamide has a molecular weight of 373.48 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 1018009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).