N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide

C19H31N4O4S+ — CID 8819246

IUPACN-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
SMILESCNC(=O)CN(C)C(=O)C[NH+]1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C19H30N4O4S/c1-15(2)16-5-7-17(8-6-16)28(26,27)23-11-9-22(10-12-23)14-19(25)21(4)13-18(24)20-3/h5-8,15H,9-14H2,1-4H3,(H,20,24)/p+1
InChIKeyDJQULTPSVIBARO-UHFFFAOYSA-O
MW411.55 g/mol
LogP-1.10
Rot. Bonds7

About N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide

N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide (PubChem CID 8819246) has the molecular formula C19H31N4O4S+ and a molecular weight of 411.55 g/mol. Its IUPAC name is N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
PubChem CID8819246
Molecular FormulaC19H31N4O4S+
Molecular Weight411.55 g/mol
Exact Mass411.21
IUPAC NameN-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
SMILESCNC(=O)CN(C)C(=O)C[NH+]1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C19H30N4O4S/c1-15(2)16-5-7-17(8-6-16)28(26,27)23-11-9-22(10-12-23)14-19(25)21(4)13-18(24)20-3/h5-8,15H,9-14H2,1-4H3,(H,20,24)/p+1
InChIKeyDJQULTPSVIBARO-UHFFFAOYSA-O
XLogP-1.10
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8680917
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 8688752
N-propan-2-yl-2-[[2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]acetamide
CID 8819321
2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8796884
2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4244464
N-(cyclopropylcarbamoyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 8796985
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide
CID 8747655
N-methyl-2-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]sulfonylacetamide
CID 90592831
N-[(2S)-butan-2-yl]-2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide
CID 9289013
2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 6867315
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2438965
2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8743426

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide (CID 8819246) is N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide is CNC(=O)CN(C)C(=O)C[NH+]1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide?
The InChIKey is DJQULTPSVIBARO-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H30N4O4S/c1-15(2)16-5-7-17(8-6-16)28(26,27)23-11-9-22(10-12-23)14-19(25)21(4)13-18(24)20-3/h5-8,15H,9-14H2,1-4H3,(H,20,24)/p+1.
What are the key properties of N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide?
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide has a molecular weight of 411.55 g/mol, XLogP of -1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 8819246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).