4-[2-(methanesulfonamido)acetyl]-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide

C17H26N4O4S — CID 110086102

IUPAC4-[2-(methanesulfonamido)acetyl]-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)CNS(C)(=O)=O)CCN1CCc1ccccc1
InChIInChI=1S/C17H26N4O4S/c1-18-17(23)15-13-21(16(22)12-19-26(2,24)25)11-10-20(15)9-8-14-6-4-3-5-7-14/h3-7,15,19H,8-13H2,1-2H3,(H,18,23)
InChIKeyLQYHHBNEWYBUCX-UHFFFAOYSA-N
MW382.49 g/mol
LogP-0.96
Rot. Bonds7

About 4-[2-(methanesulfonamido)acetyl]-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide

4-[2-(methanesulfonamido)acetyl]-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide (PubChem CID 110086102) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is 4-[2-(methanesulfonamido)acetyl]-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(methanesulfonamido)acetyl]-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide
PubChem CID110086102
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC Name4-[2-(methanesulfonamido)acetyl]-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)CNS(C)(=O)=O)CCN1CCc1ccccc1
InChIInChI=1S/C17H26N4O4S/c1-18-17(23)15-13-21(16(22)12-19-26(2,24)25)11-10-20(15)9-8-14-6-4-3-5-7-14/h3-7,15,19H,8-13H2,1-2H3,(H,18,23)
InChIKeyLQYHHBNEWYBUCX-UHFFFAOYSA-N
XLogP-0.96
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-(methanesulfonamido)acetyl]-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide 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

(2R)-4-(3-methoxypropanoyl)-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124940245
4-(3-methoxypropanoyl)-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide
CID 110086321
4-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide
CID 110085990
(2S)-N-methyl-1-(2-phenylethyl)-4-(pyridine-2-carbonyl)piperazine-2-carboxamide
CID 124984883
(2S)-N-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
CID 125018642
(2R)-N-methyl-4-(4-methylpyrimidine-5-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
CID 125025072
N-methyl-4-(3-phenylpropanoyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 110086048
(6S)-1-acetyl-4-[2-(methanesulfonamido)acetyl]-N-methyl-1,4-diazepane-6-carboxamide
CID 124981885
(2S)-1-benzyl-N-methyl-4-propan-2-ylpiperazine-2-carboxamide
CID 95827904
1-acetyl-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
CID 110086145
N,1-dimethyl-4-[3-[4-(methylsulfamoyl)phenyl]propanoyl]piperazine-2-carboxamide
CID 110085958
methyl 1-(2-phenylethyl)azetidine-2-carboxylate
CID 4196688

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methanesulfonamido)acetyl]-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide?
The IUPAC name of 4-[2-(methanesulfonamido)acetyl]-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide (CID 110086102) is 4-[2-(methanesulfonamido)acetyl]-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide.
What is the SMILES notation for 4-[2-(methanesulfonamido)acetyl]-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide?
The canonical SMILES for 4-[2-(methanesulfonamido)acetyl]-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide is CNC(=O)C1CN(C(=O)CNS(C)(=O)=O)CCN1CCc1ccccc1.
What is the InChIKey of 4-[2-(methanesulfonamido)acetyl]-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide?
The InChIKey is LQYHHBNEWYBUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-18-17(23)15-13-21(16(22)12-19-26(2,24)25)11-10-20(15)9-8-14-6-4-3-5-7-14/h3-7,15,19H,8-13H2,1-2H3,(H,18,23).
What are the key properties of 4-[2-(methanesulfonamido)acetyl]-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide?
4-[2-(methanesulfonamido)acetyl]-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide has a molecular weight of 382.49 g/mol, XLogP of -0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methanesulfonamido)acetyl]-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide is sourced from PubChem (CID 110086102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).