2-(4-cyanophenyl)-N-(thian-3-yl)acetamide

C14H16N2OS — CID 115674764

IUPAC2-(4-cyanophenyl)-N-(thian-3-yl)acetamide
SMILESN#Cc1ccc(CC(=O)NC2CCCSC2)cc1
InChIInChI=1S/C14H16N2OS/c15-9-12-5-3-11(4-6-12)8-14(17)16-13-2-1-7-18-10-13/h3-6,13H,1-2,7-8,10H2,(H,16,17)
InChIKeyGBGROISNXZLEEO-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.11
Rot. Bonds3

About 2-(4-cyanophenyl)-N-(thian-3-yl)acetamide

2-(4-cyanophenyl)-N-(thian-3-yl)acetamide (PubChem CID 115674764) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-(thian-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-(thian-3-yl)acetamide
PubChem CID115674764
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-(4-cyanophenyl)-N-(thian-3-yl)acetamide
SMILESN#Cc1ccc(CC(=O)NC2CCCSC2)cc1
InChIInChI=1S/C14H16N2OS/c15-9-12-5-3-11(4-6-12)8-14(17)16-13-2-1-7-18-10-13/h3-6,13H,1-2,7-8,10H2,(H,16,17)
InChIKeyGBGROISNXZLEEO-UHFFFAOYSA-N
XLogP2.11
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-hydroxyphenyl)-N-(thian-3-yl)propanamide
CID 86791471
2-(3-hydroxyphenyl)-N-(thian-3-yl)acetamide
CID 115675030
2-(4-cyanophenyl)-N-(1-ethylpiperidin-3-yl)acetamide
CID 62404425
2-(2-cyanophenoxy)-N-(thian-3-yl)acetamide
CID 115674794
2-(4-cyanophenyl)-N-(thian-4-ylmethyl)acetamide
CID 115625108
N-methyl-2-[4-(thian-3-ylamino)phenyl]acetamide
CID 62873267
2-(4-cyanophenyl)-N-(cyclobutylmethyl)acetamide
CID 62403309
2-(4-cyanophenyl)-N-(2-methyloxan-4-yl)acetamide
CID 103888163
2-(4-cyanophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
CID 25014867
4-methyl-3-(thian-3-ylamino)benzonitrile
CID 62872013
2-(tert-butylamino)-N-(thian-3-yl)acetamide
CID 115674777
N-[(4-cyanophenyl)methyl]thiane-2-carboxamide
CID 80593548

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-(thian-3-yl)acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-(thian-3-yl)acetamide (CID 115674764) is 2-(4-cyanophenyl)-N-(thian-3-yl)acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-(thian-3-yl)acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-(thian-3-yl)acetamide is N#Cc1ccc(CC(=O)NC2CCCSC2)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-(thian-3-yl)acetamide?
The InChIKey is GBGROISNXZLEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c15-9-12-5-3-11(4-6-12)8-14(17)16-13-2-1-7-18-10-13/h3-6,13H,1-2,7-8,10H2,(H,16,17).
What are the key properties of 2-(4-cyanophenyl)-N-(thian-3-yl)acetamide?
2-(4-cyanophenyl)-N-(thian-3-yl)acetamide has a molecular weight of 260.36 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-(thian-3-yl)acetamide is sourced from PubChem (CID 115674764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).