N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide

C16H19ClN2O3S2 — CID 113070097

IUPACN-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide
SMILESCc1cc(Cl)ccc1N(CCNC(=O)Cc1cccs1)S(C)(=O)=O
InChIInChI=1S/C16H19ClN2O3S2/c1-12-10-13(17)5-6-15(12)19(24(2,21)22)8-7-18-16(20)11-14-4-3-9-23-14/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,20)
InChIKeyRRWQGJDFVJNVIJ-UHFFFAOYSA-N
MW386.93 g/mol
LogP2.83
Rot. Bonds7

About N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide

N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 113070097) has the molecular formula C16H19ClN2O3S2 and a molecular weight of 386.93 g/mol. Its IUPAC name is N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide
PubChem CID113070097
Molecular FormulaC16H19ClN2O3S2
Molecular Weight386.93 g/mol
Exact Mass386.05
IUPAC NameN-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide
SMILESCc1cc(Cl)ccc1N(CCNC(=O)Cc1cccs1)S(C)(=O)=O
InChIInChI=1S/C16H19ClN2O3S2/c1-12-10-13(17)5-6-15(12)19(24(2,21)22)8-7-18-16(20)11-14-4-3-9-23-14/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,20)
InChIKeyRRWQGJDFVJNVIJ-UHFFFAOYSA-N
XLogP2.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide 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

N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 113068548
N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113070076
N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-thiophen-2-ylacetamide
CID 113067070
2-(4-chlorophenyl)-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113068793
N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070078
N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 113071084
3-chloro-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068799
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 3700532
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113068768
N-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113070047
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]thiophene-2-carboxamide
CID 113059891

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide (CID 113070097) is N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide is Cc1cc(Cl)ccc1N(CCNC(=O)Cc1cccs1)S(C)(=O)=O.
What is the InChIKey of N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is RRWQGJDFVJNVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3S2/c1-12-10-13(17)5-6-15(12)19(24(2,21)22)8-7-18-16(20)11-14-4-3-9-23-14/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide?
N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 386.93 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113070097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).