N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide

C21H27N3O3S — CID 3144160

IUPACN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1N(CC(=O)N1CCN(Cc2ccccc2)CC1)S(C)(=O)=O
InChIInChI=1S/C21H27N3O3S/c1-18-8-6-7-11-20(18)24(28(2,26)27)17-21(25)23-14-12-22(13-15-23)16-19-9-4-3-5-10-19/h3-11H,12-17H2,1-2H3
InChIKeyWRAYGPFDBOADCG-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.11
Rot. Bonds6

About N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide (PubChem CID 3144160) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide
PubChem CID3144160
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1N(CC(=O)N1CCN(Cc2ccccc2)CC1)S(C)(=O)=O
InChIInChI=1S/C21H27N3O3S/c1-18-8-6-7-11-20(18)24(28(2,26)27)17-21(25)23-14-12-22(13-15-23)16-19-9-4-3-5-10-19/h3-11H,12-17H2,1-2H3
InChIKeyWRAYGPFDBOADCG-UHFFFAOYSA-N
XLogP2.11
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
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-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide (CID 3144160) is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide is Cc1ccccc1N(CC(=O)N1CCN(Cc2ccccc2)CC1)S(C)(=O)=O.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide?
The InChIKey is WRAYGPFDBOADCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-18-8-6-7-11-20(18)24(28(2,26)27)17-21(25)23-14-12-22(13-15-23)16-19-9-4-3-5-10-19/h3-11H,12-17H2,1-2H3.
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide?
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide has a molecular weight of 401.53 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 3144160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).