N-(2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide

C20H25N3O3S — CID 1135498

IUPACN-(2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
SMILESCc1ccccc1N(CC(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O
InChIInChI=1S/C20H25N3O3S/c1-17-8-6-7-11-19(17)23(27(2,25)26)16-20(24)22-14-12-21(13-15-22)18-9-4-3-5-10-18/h3-11H,12-16H2,1-2H3
InChIKeyAOVAAXZUMKNLGO-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.11
Rot. Bonds5

About N-(2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide

N-(2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide (PubChem CID 1135498) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-(2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
PubChem CID1135498
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-(2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
SMILESCc1ccccc1N(CC(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O
InChIInChI=1S/C20H25N3O3S/c1-17-8-6-7-11-19(17)23(27(2,25)26)16-20(24)22-14-12-21(13-15-22)18-9-4-3-5-10-18/h3-11H,12-16H2,1-2H3
InChIKeyAOVAAXZUMKNLGO-UHFFFAOYSA-N
XLogP2.11
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-(2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide (CID 1135498) is N-(2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-(2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-(2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide is Cc1ccccc1N(CC(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O.
What is the InChIKey of N-(2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide?
The InChIKey is AOVAAXZUMKNLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-17-8-6-7-11-19(17)23(27(2,25)26)16-20(24)22-14-12-21(13-15-22)18-9-4-3-5-10-18/h3-11H,12-16H2,1-2H3.
What are the key properties of N-(2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide?
N-(2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide has a molecular weight of 387.51 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 1135498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).