4-(2-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]piperazine-1-carboxamide

C18H23ClN4O3S2 — CID 25348811

IUPAC4-(2-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]piperazine-1-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ccccc3Cl)CC2)s1
InChIInChI=1S/C18H23ClN4O3S2/c1-21(2)28(25,26)17-8-7-14(27-17)13-20-18(24)23-11-9-22(10-12-23)16-6-4-3-5-15(16)19/h3-8H,9-13H2,1-2H3,(H,20,24)
InChIKeyADEGHHGBGUMQBL-UHFFFAOYSA-N
MW442.99 g/mol
LogP2.68
Rot. Bonds5

About 4-(2-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]piperazine-1-carboxamide

4-(2-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]piperazine-1-carboxamide (PubChem CID 25348811) has the molecular formula C18H23ClN4O3S2 and a molecular weight of 442.99 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]piperazine-1-carboxamide
PubChem CID25348811
Molecular FormulaC18H23ClN4O3S2
Molecular Weight442.99 g/mol
Exact Mass442.09
IUPAC Name4-(2-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]piperazine-1-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ccccc3Cl)CC2)s1
InChIInChI=1S/C18H23ClN4O3S2/c1-21(2)28(25,26)17-8-7-14(27-17)13-20-18(24)23-11-9-22(10-12-23)16-6-4-3-5-15(16)19/h3-8H,9-13H2,1-2H3,(H,20,24)
InChIKeyADEGHHGBGUMQBL-UHFFFAOYSA-N
XLogP2.68
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.99
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]piperazine-1-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

ethyl 1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methylcarbamoyl]piperidine-4-carboxylate
CID 24574536
4-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carboxamide
CID 27537986
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea
CID 47132005
N-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide
CID 3398224
4-(2-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-N'-methylpiperazine-1-carboximidamide
CID 111177782
4-(2-chlorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide
CID 132971440
(3R)-1-(3-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 95086836
4-(2-chlorophenyl)-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperazine-1-carboxamide
CID 60588238
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 33152535
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-fluorophenyl)urea
CID 17445044
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-methoxybenzamide
CID 37017962
4-benzyl-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-N'-methylpiperidine-1-carboximidamide
CID 111152564

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]piperazine-1-carboxamide (CID 25348811) is 4-(2-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]piperazine-1-carboxamide is CN(C)S(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ccccc3Cl)CC2)s1.
What is the InChIKey of 4-(2-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]piperazine-1-carboxamide?
The InChIKey is ADEGHHGBGUMQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O3S2/c1-21(2)28(25,26)17-8-7-14(27-17)13-20-18(24)23-11-9-22(10-12-23)16-6-4-3-5-15(16)19/h3-8H,9-13H2,1-2H3,(H,20,24).
What are the key properties of 4-(2-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]piperazine-1-carboxamide?
4-(2-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]piperazine-1-carboxamide has a molecular weight of 442.99 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 25348811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).