N-(2-cyano-4-fluorophenyl)-2-(thian-4-yl)acetamide

C14H15FN2OS — CID 80709860

IUPACN-(2-cyano-4-fluorophenyl)-2-(thian-4-yl)acetamide
SMILESN#Cc1cc(F)ccc1NC(=O)CC1CCSCC1
InChIInChI=1S/C14H15FN2OS/c15-12-1-2-13(11(8-12)9-16)17-14(18)7-10-3-5-19-6-4-10/h1-2,8,10H,3-7H2,(H,17,18)
InChIKeyAYJRWWLEOZYLKP-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.17
Rot. Bonds3

About N-(2-cyano-4-fluorophenyl)-2-(thian-4-yl)acetamide

N-(2-cyano-4-fluorophenyl)-2-(thian-4-yl)acetamide (PubChem CID 80709860) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-2-(thian-4-yl)acetamide
PubChem CID80709860
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC NameN-(2-cyano-4-fluorophenyl)-2-(thian-4-yl)acetamide
SMILESN#Cc1cc(F)ccc1NC(=O)CC1CCSCC1
InChIInChI=1S/C14H15FN2OS/c15-12-1-2-13(11(8-12)9-16)17-14(18)7-10-3-5-19-6-4-10/h1-2,8,10H,3-7H2,(H,17,18)
InChIKeyAYJRWWLEOZYLKP-UHFFFAOYSA-N
XLogP3.17
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-N-(2-cyano-4-fluorophenyl)acetamide
CID 82015908
N-(2-cyano-4-fluorophenyl)-3-piperidin-4-ylpropanamide
CID 82016419
N-(2-cyano-4-fluorophenyl)propanamide
CID 79952819
N-(2-cyano-4-fluorophenyl)-2-(cyclopentylamino)acetamide
CID 82015810
N-(2-cyano-4-fluorophenyl)-3-sulfanylpropanamide
CID 107033592
N-(4-cyano-1-methylpyrazol-5-yl)-2-(thian-4-yl)acetamide
CID 83137865
N-(2-cyano-4-fluorophenyl)-3,3-dimethylbutanamide
CID 79953681
4-amino-N-(2-cyano-4-fluorophenyl)-4-methylpentanamide
CID 82015813
N-[2-[(2-cyano-4-fluorophenyl)carbamoylamino]ethyl]cyclopropanecarboxamide
CID 78894739
N-(2-cyano-4-fluorophenyl)-5-hydroxypentanamide
CID 82684893
1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea
CID 115279853
N-(2-amino-4-chlorophenyl)-2-(thian-4-yl)acetamide
CID 83145566

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-2-(thian-4-yl)acetamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-2-(thian-4-yl)acetamide (CID 80709860) is N-(2-cyano-4-fluorophenyl)-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-2-(thian-4-yl)acetamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-2-(thian-4-yl)acetamide is N#Cc1cc(F)ccc1NC(=O)CC1CCSCC1.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-2-(thian-4-yl)acetamide?
The InChIKey is AYJRWWLEOZYLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c15-12-1-2-13(11(8-12)9-16)17-14(18)7-10-3-5-19-6-4-10/h1-2,8,10H,3-7H2,(H,17,18).
What are the key properties of N-(2-cyano-4-fluorophenyl)-2-(thian-4-yl)acetamide?
N-(2-cyano-4-fluorophenyl)-2-(thian-4-yl)acetamide has a molecular weight of 278.35 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-2-(thian-4-yl)acetamide is sourced from PubChem (CID 80709860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).