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

C22H29N3O3S — CID 30262751

IUPACN-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)methanesulfonamide
SMILESCC(C)c1ccccc1N(CC(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O
InChIInChI=1S/C22H29N3O3S/c1-18(2)20-11-7-8-12-21(20)25(29(3,27)28)17-22(26)24-15-13-23(14-16-24)19-9-5-4-6-10-19/h4-12,18H,13-17H2,1-3H3
InChIKeyWIFMDLRMZSCROD-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.92
Rot. Bonds6

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

N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)methanesulfonamide (PubChem CID 30262751) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)methanesulfonamide
PubChem CID30262751
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)methanesulfonamide
SMILESCC(C)c1ccccc1N(CC(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O
InChIInChI=1S/C22H29N3O3S/c1-18(2)20-11-7-8-12-21(20)25(29(3,27)28)17-22(26)24-15-13-23(14-16-24)19-9-5-4-6-10-19/h4-12,18H,13-17H2,1-3H3
InChIKeyWIFMDLRMZSCROD-UHFFFAOYSA-N
XLogP2.92
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
CID 1137013
methyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate
CID 30273706
ethyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate
CID 30267760
N-(2-methoxy-5-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
CID 1148586
N-(2-ethylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 4115834
2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 100521667
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)methanesulfonamide
CID 30273145
N-(3-fluorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
CID 4212038
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-propan-2-yloxyphenyl)methanesulfonamide
CID 113155338
2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl chloride
CID 50893712
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 1000480
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 53283438

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)methanesulfonamide?
The IUPAC name of N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)methanesulfonamide (CID 30262751) is N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)methanesulfonamide is CC(C)c1ccccc1N(CC(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O.
What is the InChIKey of N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)methanesulfonamide?
The InChIKey is WIFMDLRMZSCROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-18(2)20-11-7-8-12-21(20)25(29(3,27)28)17-22(26)24-15-13-23(14-16-24)19-9-5-4-6-10-19/h4-12,18H,13-17H2,1-3H3.
What are the key properties of N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)methanesulfonamide?
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)methanesulfonamide has a molecular weight of 415.56 g/mol, XLogP of 2.92, 6 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-propan-2-ylphenyl)methanesulfonamide is sourced from PubChem (CID 30262751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).