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

C21H27N3O3S — CID 1021966

IUPACN-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-phenylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H27N3O3S/c1-28(26,27)24(13-12-19-8-4-2-5-9-19)18-21(25)23-16-14-22(15-17-23)20-10-6-3-7-11-20/h2-11H,12-18H2,1H3
InChIKeySINCXCZRWLCSTB-UHFFFAOYSA-N
MW401.53 g/mol
LogP1.84
Rot. Bonds7

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

N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-phenylethyl)methanesulfonamide (PubChem CID 1021966) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-phenylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-phenylethyl)methanesulfonamide
PubChem CID1021966
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-phenylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H27N3O3S/c1-28(26,27)24(13-12-19-8-4-2-5-9-19)18-21(25)23-16-14-22(15-17-23)20-10-6-3-7-11-20/h2-11H,12-18H2,1H3
InChIKeySINCXCZRWLCSTB-UHFFFAOYSA-N
XLogP1.84
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-phenylethyl)methanesulfonamide?
The IUPAC name of N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-phenylethyl)methanesulfonamide (CID 1021966) is N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-phenylethyl)methanesulfonamide.
What is the SMILES notation for N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-phenylethyl)methanesulfonamide?
The canonical SMILES for N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-phenylethyl)methanesulfonamide is CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-phenylethyl)methanesulfonamide?
The InChIKey is SINCXCZRWLCSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-28(26,27)24(13-12-19-8-4-2-5-9-19)18-21(25)23-16-14-22(15-17-23)20-10-6-3-7-11-20/h2-11H,12-18H2,1H3.
What are the key properties of N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-phenylethyl)methanesulfonamide?
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-phenylethyl)methanesulfonamide has a molecular weight of 401.53 g/mol, XLogP of 1.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-phenylethyl)methanesulfonamide is sourced from PubChem (CID 1021966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).