N-(3-aminophenyl)-2-thiophen-2-ylsulfonylacetamide

C12H12N2O3S2 — CID 43444010

IUPACN-(3-aminophenyl)-2-thiophen-2-ylsulfonylacetamide
SMILESNc1cccc(NC(=O)CS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C12H12N2O3S2/c13-9-3-1-4-10(7-9)14-11(15)8-19(16,17)12-5-2-6-18-12/h1-7H,8,13H2,(H,14,15)
InChIKeyBRGNGNLAFISZSZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.74
Rot. Bonds4

About N-(3-aminophenyl)-2-thiophen-2-ylsulfonylacetamide

N-(3-aminophenyl)-2-thiophen-2-ylsulfonylacetamide (PubChem CID 43444010) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-thiophen-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-thiophen-2-ylsulfonylacetamide
PubChem CID43444010
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC NameN-(3-aminophenyl)-2-thiophen-2-ylsulfonylacetamide
SMILESNc1cccc(NC(=O)CS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C12H12N2O3S2/c13-9-3-1-4-10(7-9)14-11(15)8-19(16,17)12-5-2-6-18-12/h1-7H,8,13H2,(H,14,15)
InChIKeyBRGNGNLAFISZSZ-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-2-thiophen-2-ylsulfonylacetamide
CID 43443995
N-(3-amino-4-fluorophenyl)-2-thiophen-2-ylsulfonylacetamide
CID 43443998
N-(2-amino-4,6-dichlorophenyl)-2-thiophen-2-ylsulfonylacetamide
CID 43444002
N-(3-aminophenyl)-2-propylsulfonylacetamide
CID 43444789
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
N-(3-aminophenyl)-3-(2-methylsulfonylethylsulfonyl)propanamide
CID 63658124
N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylsulfonylacetamide
CID 42100169
N-(3-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 4615673
2-thiophen-2-ylethyl N-(3-aminophenyl)carbamate
CID 54967170
N-[(3-methoxyphenyl)methyl]-2-thiophen-2-ylsulfonylacetamide
CID 42100153
ethyl 3-[[4-(3-thiophen-2-ylsulfonylpropanoylamino)benzoyl]amino]benzoate
CID 46246295
N-(3-bromophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 2479907

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-thiophen-2-ylsulfonylacetamide?
The IUPAC name of N-(3-aminophenyl)-2-thiophen-2-ylsulfonylacetamide (CID 43444010) is N-(3-aminophenyl)-2-thiophen-2-ylsulfonylacetamide.
What is the SMILES notation for N-(3-aminophenyl)-2-thiophen-2-ylsulfonylacetamide?
The canonical SMILES for N-(3-aminophenyl)-2-thiophen-2-ylsulfonylacetamide is Nc1cccc(NC(=O)CS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-(3-aminophenyl)-2-thiophen-2-ylsulfonylacetamide?
The InChIKey is BRGNGNLAFISZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c13-9-3-1-4-10(7-9)14-11(15)8-19(16,17)12-5-2-6-18-12/h1-7H,8,13H2,(H,14,15).
What are the key properties of N-(3-aminophenyl)-2-thiophen-2-ylsulfonylacetamide?
N-(3-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-(3-aminophenyl)-2-thiophen-2-ylsulfonylacetamide is sourced from PubChem (CID 43444010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).