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

C20H25N3O3S — CID 133184784

IUPACN-methyl-N-[2-oxo-1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
SMILESCN(C(C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H25N3O3S/c1-21(27(2,25)26)19(17-9-5-3-6-10-17)20(24)23-15-13-22(14-16-23)18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3
InChIKeyIQCYNUDXRVSPLX-UHFFFAOYSA-N
MW387.50 g/mol
LogP1.97
Rot. Bonds5

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

N-methyl-N-[2-oxo-1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide (PubChem CID 133184784) has the molecular formula C20H25N3O3S and a molecular weight of 387.50 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
PubChem CID133184784
Molecular FormulaC20H25N3O3S
Molecular Weight387.50 g/mol
Exact Mass387.16
IUPAC NameN-methyl-N-[2-oxo-1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
SMILESCN(C(C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H25N3O3S/c1-21(27(2,25)26)19(17-9-5-3-6-10-17)20(24)23-15-13-22(14-16-23)18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3
InChIKeyIQCYNUDXRVSPLX-UHFFFAOYSA-N
XLogP1.97
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]methanesulfonamide
CID 125054281
N-methyl-N-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 133161882
N-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide
CID 133187649
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-1-phenylethyl]-N-methylmethanesulfonamide
CID 133210680
2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 133166793
N-[(1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-N-methylmethanesulfonamide
CID 125054870
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
N,N-dimethyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133219262
(2S)-2-[methyl(methylsulfonyl)amino]-N-[(4-morpholin-4-ylphenyl)methyl]-2-phenylacetamide
CID 125058003
1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone
CID 143781078
[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248828
N-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 1019171

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-oxo-1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide (CID 133184784) is N-methyl-N-[2-oxo-1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-oxo-1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-oxo-1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide is CN(C(C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-oxo-1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide?
The InChIKey is IQCYNUDXRVSPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-21(27(2,25)26)19(17-9-5-3-6-10-17)20(24)23-15-13-22(14-16-23)18-11-7-4-8-12-18/h3-12,19H,13-16H2,1-2H3.
What are the key properties of N-methyl-N-[2-oxo-1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide?
N-methyl-N-[2-oxo-1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide has a molecular weight of 387.50 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 133184784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).