N-(3-cyanothiophen-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide

C16H16N2OS2 — CID 8759941

IUPACN-(3-cyanothiophen-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)Nc2sccc2C#N)cc1C
InChIInChI=1S/C16H16N2OS2/c1-11-3-4-14(9-12(11)2)20-8-6-15(19)18-16-13(10-17)5-7-21-16/h3-5,7,9H,6,8H2,1-2H3,(H,18,19)
InChIKeyMSOUNXSDUUZRLV-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.36
Rot. Bonds5

About N-(3-cyanothiophen-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide

N-(3-cyanothiophen-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide (PubChem CID 8759941) has the molecular formula C16H16N2OS2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
PubChem CID8759941
Molecular FormulaC16H16N2OS2
Molecular Weight316.45 g/mol
Exact Mass316.07
IUPAC NameN-(3-cyanothiophen-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)Nc2sccc2C#N)cc1C
InChIInChI=1S/C16H16N2OS2/c1-11-3-4-14(9-12(11)2)20-8-6-15(19)18-16-13(10-17)5-7-21-16/h3-5,7,9H,6,8H2,1-2H3,(H,18,19)
InChIKeyMSOUNXSDUUZRLV-UHFFFAOYSA-N
XLogP4.36
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-tert-butylphenyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 9042639
3-(4-bromophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 8544238
N-(3-cyanothiophen-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 8907694
2-(4-amino-3-methylphenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
CID 79147880
3-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 115279669
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 8855148
N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide
CID 2137658
3-(2-amino-2-methylpropyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 66220996
N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride
CID 120568294
3-(3,4-dimethylphenyl)sulfanyl-N-(3-hydroxy-2-pyridinyl)propanamide
CID 112802627
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
CID 24631051
N-(2-amino-2-methylpropyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 119629181

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide (CID 8759941) is N-(3-cyanothiophen-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide is Cc1ccc(SCCC(=O)Nc2sccc2C#N)cc1C.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide?
The InChIKey is MSOUNXSDUUZRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS2/c1-11-3-4-14(9-12(11)2)20-8-6-15(19)18-16-13(10-17)5-7-21-16/h3-5,7,9H,6,8H2,1-2H3,(H,18,19).
What are the key properties of N-(3-cyanothiophen-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide?
N-(3-cyanothiophen-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide has a molecular weight of 316.45 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide is sourced from PubChem (CID 8759941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).