2-(4-amino-3-methylphenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide

C14H13N3OS2 — CID 79147880

IUPAC2-(4-amino-3-methylphenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
SMILESCc1cc(SCC(=O)Nc2sccc2C#N)ccc1N
InChIInChI=1S/C14H13N3OS2/c1-9-6-11(2-3-12(9)16)20-8-13(18)17-14-10(7-15)4-5-19-14/h2-6H,8,16H2,1H3,(H,17,18)
InChIKeyGBAULHKNZBJVAG-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.24
Rot. Bonds4

About 2-(4-amino-3-methylphenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide

2-(4-amino-3-methylphenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide (PubChem CID 79147880) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(4-amino-3-methylphenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-methylphenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
PubChem CID79147880
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC Name2-(4-amino-3-methylphenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
SMILESCc1cc(SCC(=O)Nc2sccc2C#N)ccc1N
InChIInChI=1S/C14H13N3OS2/c1-9-6-11(2-3-12(9)16)20-8-13(18)17-14-10(7-15)4-5-19-14/h2-6H,8,16H2,1H3,(H,17,18)
InChIKeyGBAULHKNZBJVAG-UHFFFAOYSA-N
XLogP3.24
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.24
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-(3-cyanothiophen-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 8759941
2-(2-aminophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
CID 43249184
2-(4-amino-3-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide
CID 79128325
2-(4-amino-3-methylphenyl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 79126956
2-(4-amino-3-methylphenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 79128316
2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79147675
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]sulfanylbenzamide
CID 154836572
3-(4-bromophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 8544238
N-(2-cyanophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2708526
ethyl 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]thiophene-3-carboxylate
CID 36553918
N-(3-cyanothiophen-2-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7682939

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylphenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide?
The IUPAC name of 2-(4-amino-3-methylphenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide (CID 79147880) is 2-(4-amino-3-methylphenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide.
What is the SMILES notation for 2-(4-amino-3-methylphenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide?
The canonical SMILES for 2-(4-amino-3-methylphenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide is Cc1cc(SCC(=O)Nc2sccc2C#N)ccc1N.
What is the InChIKey of 2-(4-amino-3-methylphenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide?
The InChIKey is GBAULHKNZBJVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2/c1-9-6-11(2-3-12(9)16)20-8-13(18)17-14-10(7-15)4-5-19-14/h2-6H,8,16H2,1H3,(H,17,18).
What are the key properties of 2-(4-amino-3-methylphenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide?
2-(4-amino-3-methylphenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide has a molecular weight of 303.41 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylphenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide is sourced from PubChem (CID 79147880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).