N-benzyl-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]methanesulfonamide

C21H27N3O3S — CID 21372396

IUPACN-benzyl-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]methanesulfonamide
SMILESCCN1CCN(C(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C21H27N3O3S/c1-3-22-13-15-23(16-14-22)21(25)19-9-11-20(12-10-19)24(28(2,26)27)17-18-7-5-4-6-8-18/h4-12H,3,13-17H2,1-2H3
InChIKeyRKPKYDAGIPZDTK-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.43
Rot. Bonds6

About N-benzyl-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]methanesulfonamide

N-benzyl-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]methanesulfonamide (PubChem CID 21372396) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-benzyl-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]methanesulfonamide
PubChem CID21372396
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-benzyl-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]methanesulfonamide
SMILESCCN1CCN(C(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C21H27N3O3S/c1-3-22-13-15-23(16-14-22)21(25)19-9-11-20(12-10-19)24(28(2,26)27)17-18-7-5-4-6-8-18/h4-12H,3,13-17H2,1-2H3
InChIKeyRKPKYDAGIPZDTK-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide
CID 23770767
N-benzyl-N-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methanesulfonamide
CID 30129117
N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-N-prop-2-enylmethanesulfonamide
CID 2967848
N-benzyl-N-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 68578304
N-benzyl-N-[2-(4-ethylpiperazine-1-carbonyl)-4,5-dimethoxyphenyl]methanesulfonamide
CID 30151155
N-benzyl-N-[4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 67130558
N-(2-ethoxyphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]methanesulfonamide
CID 53287514
N-[4-(azepane-1-carbonyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide
CID 17201100
ethyl 4-[[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156731
N-benzyl-N-phenylmethanesulfonamide;ethane
CID 142134956
N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-N-[(2-chlorophenyl)methyl]methanesulfonamide
CID 126032860
N-phenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 1100955

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-benzyl-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]methanesulfonamide (CID 21372396) is N-benzyl-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-benzyl-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-benzyl-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]methanesulfonamide is CCN1CCN(C(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)CC1.
What is the InChIKey of N-benzyl-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The InChIKey is RKPKYDAGIPZDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-3-22-13-15-23(16-14-22)21(25)19-9-11-20(12-10-19)24(28(2,26)27)17-18-7-5-4-6-8-18/h4-12H,3,13-17H2,1-2H3.
What are the key properties of N-benzyl-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
N-benzyl-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]methanesulfonamide has a molecular weight of 401.53 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 21372396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).