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

C13H14N2O2S2 — CID 61302260

IUPACN-(2-aminophenyl)-3-thiophen-2-ylsulfinylpropanamide
SMILESNc1ccccc1NC(=O)CCS(=O)c1cccs1
InChIInChI=1S/C13H14N2O2S2/c14-10-4-1-2-5-11(10)15-12(16)7-9-19(17)13-6-3-8-18-13/h1-6,8H,7,9,14H2,(H,15,16)
InChIKeyVAZLYUFHIODLKR-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.47
Rot. Bonds5

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

N-(2-aminophenyl)-3-thiophen-2-ylsulfinylpropanamide (PubChem CID 61302260) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-thiophen-2-ylsulfinylpropanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-thiophen-2-ylsulfinylpropanamide
PubChem CID61302260
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC NameN-(2-aminophenyl)-3-thiophen-2-ylsulfinylpropanamide
SMILESNc1ccccc1NC(=O)CCS(=O)c1cccs1
InChIInChI=1S/C13H14N2O2S2/c14-10-4-1-2-5-11(10)15-12(16)7-9-19(17)13-6-3-8-18-13/h1-6,8H,7,9,14H2,(H,15,16)
InChIKeyVAZLYUFHIODLKR-UHFFFAOYSA-N
XLogP2.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-3-(4-methylphenyl)sulfinylpropanamide
CID 61302398
2-(2-aminoanilino)-2-oxoethanesulfinic acid
CID 175416485
N-(2-aminophenyl)-3-thiophen-2-ylsulfonylpropanamide
CID 43443981
N-(2-amino-5-fluorophenyl)-2-thiophen-2-ylsulfinylacetamide
CID 61304641
N-(2-aminophenyl)-4-ethylsulfinylbutanamide
CID 61303639
N-(2-aminophenyl)-3-(2-methylbutylsulfinyl)propanamide
CID 107753768
N-(2-aminophenyl)-7-oxoheptanamide
CID 143955349
N-(2-aminophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide
CID 107753701
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
N-(2-aminophenyl)-7-oxo-7-phenylheptanamide
CID 155558642

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-thiophen-2-ylsulfinylpropanamide?
The IUPAC name of N-(2-aminophenyl)-3-thiophen-2-ylsulfinylpropanamide (CID 61302260) is N-(2-aminophenyl)-3-thiophen-2-ylsulfinylpropanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-thiophen-2-ylsulfinylpropanamide?
The canonical SMILES for N-(2-aminophenyl)-3-thiophen-2-ylsulfinylpropanamide is Nc1ccccc1NC(=O)CCS(=O)c1cccs1.
What is the InChIKey of N-(2-aminophenyl)-3-thiophen-2-ylsulfinylpropanamide?
The InChIKey is VAZLYUFHIODLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c14-10-4-1-2-5-11(10)15-12(16)7-9-19(17)13-6-3-8-18-13/h1-6,8H,7,9,14H2,(H,15,16).
What are the key properties of N-(2-aminophenyl)-3-thiophen-2-ylsulfinylpropanamide?
N-(2-aminophenyl)-3-thiophen-2-ylsulfinylpropanamide has a molecular weight of 294.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-thiophen-2-ylsulfinylpropanamide is sourced from PubChem (CID 61302260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).