N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide

C17H21N3O4S2 — CID 113071084

IUPACN-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide
SMILESCC(=O)Nc1cccc(N(CCNC(=O)Cc2cccs2)S(C)(=O)=O)c1
InChIInChI=1S/C17H21N3O4S2/c1-13(21)19-14-5-3-6-15(11-14)20(26(2,23)24)9-8-18-17(22)12-16-7-4-10-25-16/h3-7,10-11H,8-9,12H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyMNPJSUXTUGDOTF-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.83
Rot. Bonds8

About N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide

N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 113071084) has the molecular formula C17H21N3O4S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide
PubChem CID113071084
Molecular FormulaC17H21N3O4S2
Molecular Weight395.51 g/mol
Exact Mass395.10
IUPAC NameN-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide
SMILESCC(=O)Nc1cccc(N(CCNC(=O)Cc2cccs2)S(C)(=O)=O)c1
InChIInChI=1S/C17H21N3O4S2/c1-13(21)19-14-5-3-6-15(11-14)20(26(2,23)24)9-8-18-17(22)12-16-7-4-10-25-16/h3-7,10-11H,8-9,12H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyMNPJSUXTUGDOTF-UHFFFAOYSA-N
XLogP1.83
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-acetamido-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-(3-acetamido-N-methylsulfonylanilino)ethyl]butanamide
CID 113071066
N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113071074
3-acetamido-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
CID 108541843
N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 113070097
N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 113068548
3-(3-acetamido-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113145483
N-[2-(4-acetamido-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
CID 113071113
N-[2-[N-(phenylcarbamoyl)anilino]ethyl]-2-thiophen-2-ylacetamide
CID 42701383
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113070993
N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-thiophen-2-ylacetamide
CID 113067070
N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070961

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide (CID 113071084) is N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide is CC(=O)Nc1cccc(N(CCNC(=O)Cc2cccs2)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is MNPJSUXTUGDOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S2/c1-13(21)19-14-5-3-6-15(11-14)20(26(2,23)24)9-8-18-17(22)12-16-7-4-10-25-16/h3-7,10-11H,8-9,12H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide?
N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 395.51 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113071084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).