N-(4-aminophenyl)-2-thiophen-2-ylsulfonylacetamide

C12H12N2O3S2 — CID 43443995

IUPACN-(4-aminophenyl)-2-thiophen-2-ylsulfonylacetamide
SMILESNc1ccc(NC(=O)CS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C12H12N2O3S2/c13-9-3-5-10(6-4-9)14-11(15)8-19(16,17)12-2-1-7-18-12/h1-7H,8,13H2,(H,14,15)
InChIKeyCJNBHQFATIOYIH-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.74
Rot. Bonds4

About N-(4-aminophenyl)-2-thiophen-2-ylsulfonylacetamide

N-(4-aminophenyl)-2-thiophen-2-ylsulfonylacetamide (PubChem CID 43443995) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-thiophen-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-thiophen-2-ylsulfonylacetamide
PubChem CID43443995
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC NameN-(4-aminophenyl)-2-thiophen-2-ylsulfonylacetamide
SMILESNc1ccc(NC(=O)CS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C12H12N2O3S2/c13-9-3-5-10(6-4-9)14-11(15)8-19(16,17)12-2-1-7-18-12/h1-7H,8,13H2,(H,14,15)
InChIKeyCJNBHQFATIOYIH-UHFFFAOYSA-N
XLogP1.74
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)-2-thiophen-2-ylsulfonylacetamide
CID 43444010
N-(3-amino-4-fluorophenyl)-2-thiophen-2-ylsulfonylacetamide
CID 43443998
N-(4-aminophenyl)-2-(benzenesulfonyl)acetamide
CID 43444150
N-(4-aminophenyl)-2-methylsulfonylacetamide
CID 61025052
N-(2-amino-4,6-dichlorophenyl)-2-thiophen-2-ylsulfonylacetamide
CID 43444002
N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylsulfonylacetamide
CID 42100169
N-(2-aminophenyl)-3-thiophen-2-ylsulfonylpropanamide
CID 43443981
N-(4-chlorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 4614958
N-(4-acetylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 15995650
N-(4-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39154419
N-(2-ethylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide
CID 46246296
N-cyclohexyl-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide
CID 22427359

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-thiophen-2-ylsulfonylacetamide?
The IUPAC name of N-(4-aminophenyl)-2-thiophen-2-ylsulfonylacetamide (CID 43443995) is N-(4-aminophenyl)-2-thiophen-2-ylsulfonylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-thiophen-2-ylsulfonylacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-thiophen-2-ylsulfonylacetamide is Nc1ccc(NC(=O)CS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-thiophen-2-ylsulfonylacetamide?
The InChIKey is CJNBHQFATIOYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c13-9-3-5-10(6-4-9)14-11(15)8-19(16,17)12-2-1-7-18-12/h1-7H,8,13H2,(H,14,15).
What are the key properties of N-(4-aminophenyl)-2-thiophen-2-ylsulfonylacetamide?
N-(4-aminophenyl)-2-thiophen-2-ylsulfonylacetamide has a molecular weight of 296.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-thiophen-2-ylsulfonylacetamide is sourced from PubChem (CID 43443995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).