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

C16H26N3O3S+ — CID 6957245

IUPACN-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide
SMILESCC[NH+]1CCN(C(=O)CN(c2ccccc2C)S(C)(=O)=O)CC1
InChIInChI=1S/C16H25N3O3S/c1-4-17-9-11-18(12-10-17)16(20)13-19(23(3,21)22)15-8-6-5-7-14(15)2/h5-8H,4,9-13H2,1-3H3/p+1
InChIKeyUBRXXSOHSLIYAK-UHFFFAOYSA-O
MW340.47 g/mol
LogP-0.49
Rot. Bonds5

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

N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide (PubChem CID 6957245) has the molecular formula C16H26N3O3S+ and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide
PubChem CID6957245
Molecular FormulaC16H26N3O3S+
Molecular Weight340.47 g/mol
Exact Mass340.17
IUPAC NameN-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide
SMILESCC[NH+]1CCN(C(=O)CN(c2ccccc2C)S(C)(=O)=O)CC1
InChIInChI=1S/C16H25N3O3S/c1-4-17-9-11-18(12-10-17)16(20)13-19(23(3,21)22)15-8-6-5-7-14(15)2/h5-8H,4,9-13H2,1-3H3/p+1
InChIKeyUBRXXSOHSLIYAK-UHFFFAOYSA-O
XLogP-0.49
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide
CID 55850341
N-[1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46480284
N-[2-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide
CID 30855292
ethyl 1-[2-(2-methyl-N-methylsulfonylanilino)acetyl]piperidine-3-carboxylate
CID 46418830
ethyl 4-[2-(2-ethyl-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate
CID 1148753
N-(2-ethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 846617
N-[(4-chlorophenyl)methyl]-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide
CID 7378847
N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylphenyl)methanesulfonamide
CID 113141610
N-(3,4-dimethylphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-methylbenzenesulfonamide
CID 7477867
N-(2-chlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 765932
N-(3-chloro-2-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 846774
4-methyl-N-(2-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1143165

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide (CID 6957245) is N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide is CC[NH+]1CCN(C(=O)CN(c2ccccc2C)S(C)(=O)=O)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide?
The InChIKey is UBRXXSOHSLIYAK-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H25N3O3S/c1-4-17-9-11-18(12-10-17)16(20)13-19(23(3,21)22)15-8-6-5-7-14(15)2/h5-8H,4,9-13H2,1-3H3/p+1.
What are the key properties of N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide?
N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide has a molecular weight of 340.47 g/mol, XLogP of -0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 6957245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).