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

C13H14N2O3S2 — CID 43443981

IUPACN-(2-aminophenyl)-3-thiophen-2-ylsulfonylpropanamide
SMILESNc1ccccc1NC(=O)CCS(=O)(=O)c1cccs1
InChIInChI=1S/C13H14N2O3S2/c14-10-4-1-2-5-11(10)15-12(16)7-9-20(17,18)13-6-3-8-19-13/h1-6,8H,7,9,14H2,(H,15,16)
InChIKeyOGTLXMZAGPOLHG-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.13
Rot. Bonds5

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

N-(2-aminophenyl)-3-thiophen-2-ylsulfonylpropanamide (PubChem CID 43443981) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-thiophen-2-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-thiophen-2-ylsulfonylpropanamide
PubChem CID43443981
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC NameN-(2-aminophenyl)-3-thiophen-2-ylsulfonylpropanamide
SMILESNc1ccccc1NC(=O)CCS(=O)(=O)c1cccs1
InChIInChI=1S/C13H14N2O3S2/c14-10-4-1-2-5-11(10)15-12(16)7-9-20(17,18)13-6-3-8-19-13/h1-6,8H,7,9,14H2,(H,15,16)
InChIKeyOGTLXMZAGPOLHG-UHFFFAOYSA-N
XLogP2.13
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-aminophenyl)-3-thiophen-2-ylsulfonylpropanamide 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-aminophenyl)-3-(benzenesulfonyl)propanamide
CID 43444138
methyl 3-[3-(2-aminoanilino)-3-oxopropyl]sulfonylpropanoate
CID 43618100
N-(2-aminophenyl)-3-thiophen-2-ylsulfinylpropanamide
CID 61302260
N-(2-ethylphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide
CID 46246296
N-(2-aminophenyl)-2-(benzenesulfonyl)acetamide
CID 43444147
2-(2-aminoanilino)-2-oxoethanesulfinic acid
CID 175416485
N-(2-aminophenyl)-3-(oxan-4-ylsulfonyl)propanamide
CID 62996449
N-(4-aminophenyl)-2-thiophen-2-ylsulfonylacetamide
CID 43443995
N-(3-amino-4-fluorophenyl)-2-thiophen-2-ylsulfonylacetamide
CID 43443998
N-(2-aminophenyl)pent-4-ynamide
CID 102315557
2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide
CID 102158017
N-(2-aminophenyl)-2-bromoacetamide
CID 89401895

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-thiophen-2-ylsulfonylpropanamide?
The IUPAC name of N-(2-aminophenyl)-3-thiophen-2-ylsulfonylpropanamide (CID 43443981) is N-(2-aminophenyl)-3-thiophen-2-ylsulfonylpropanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-thiophen-2-ylsulfonylpropanamide?
The canonical SMILES for N-(2-aminophenyl)-3-thiophen-2-ylsulfonylpropanamide is Nc1ccccc1NC(=O)CCS(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-aminophenyl)-3-thiophen-2-ylsulfonylpropanamide?
The InChIKey is OGTLXMZAGPOLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c14-10-4-1-2-5-11(10)15-12(16)7-9-20(17,18)13-6-3-8-19-13/h1-6,8H,7,9,14H2,(H,15,16).
What are the key properties of N-(2-aminophenyl)-3-thiophen-2-ylsulfonylpropanamide?
N-(2-aminophenyl)-3-thiophen-2-ylsulfonylpropanamide has a molecular weight of 310.40 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-thiophen-2-ylsulfonylpropanamide is sourced from PubChem (CID 43443981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).