2-(2-aminophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide

C13H11N3OS2 — CID 43249184

IUPAC2-(2-aminophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
SMILESN#Cc1ccsc1NC(=O)CSc1ccccc1N
InChIInChI=1S/C13H11N3OS2/c14-7-9-5-6-18-13(9)16-12(17)8-19-11-4-2-1-3-10(11)15/h1-6H,8,15H2,(H,16,17)
InChIKeyQJPDDVDPRHBBQE-UHFFFAOYSA-N
MW289.39 g/mol
LogP2.93
Rot. Bonds4

About 2-(2-aminophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide

2-(2-aminophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide (PubChem CID 43249184) has the molecular formula C13H11N3OS2 and a molecular weight of 289.39 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
PubChem CID43249184
Molecular FormulaC13H11N3OS2
Molecular Weight289.39 g/mol
Exact Mass289.03
IUPAC Name2-(2-aminophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
SMILESN#Cc1ccsc1NC(=O)CSc1ccccc1N
InChIInChI=1S/C13H11N3OS2/c14-7-9-5-6-18-13(9)16-12(17)8-19-11-4-2-1-3-10(11)15/h1-6H,8,15H2,(H,16,17)
InChIKeyQJPDDVDPRHBBQE-UHFFFAOYSA-N
XLogP2.93
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-aminophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide 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

2-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]sulfanylbenzamide
CID 154836572
2-[[2-(2-aminophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 43249185
2-(4-amino-3-methylphenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
CID 79147880
N-(3-cyanothiophen-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2390774
4-[(3-cyanothiophen-2-yl)amino]-4-oxo-2-phenylbutanoic acid
CID 45313303
N-(3-cyanothiophen-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 75495097
N-(3-cyanothiophen-2-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7682939
N-(3-cyanothiophen-2-yl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 40671159
N-(3-cyanothiophen-2-yl)-2-[[4,5-di(propan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19717448
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
CID 24631051
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 43466026
N-(3-cyanothiophen-2-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 40766768

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide (CID 43249184) is 2-(2-aminophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide is N#Cc1ccsc1NC(=O)CSc1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide?
The InChIKey is QJPDDVDPRHBBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS2/c14-7-9-5-6-18-13(9)16-12(17)8-19-11-4-2-1-3-10(11)15/h1-6H,8,15H2,(H,16,17).
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide?
2-(2-aminophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide has a molecular weight of 289.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide is sourced from PubChem (CID 43249184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).