N-(2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide

C15H12N2OS — CID 107021013

IUPACN-(2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide
SMILESN#Cc1ccccc1NC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C15H12N2OS/c16-10-12-3-1-2-4-14(12)17-15(18)9-11-5-7-13(19)8-6-11/h1-8,19H,9H2,(H,17,18)
InChIKeyVIEJHYRWNLILSB-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.03
Rot. Bonds3

About N-(2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide

N-(2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide (PubChem CID 107021013) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide
PubChem CID107021013
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC NameN-(2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide
SMILESN#Cc1ccccc1NC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C15H12N2OS/c16-10-12-3-1-2-4-14(12)17-15(18)9-11-5-7-13(19)8-6-11/h1-8,19H,9H2,(H,17,18)
InChIKeyVIEJHYRWNLILSB-UHFFFAOYSA-N
XLogP3.03
TPSA52.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107031090
N-(2-cyanophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740419
N-(2-cyanophenyl)-2-(4-piperidin-1-ylphenyl)acetamide
CID 110651282
2-(2-aminophenyl)-N-(2-cyanophenyl)acetamide
CID 16781296
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
N-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide
CID 108954547
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954791
2-(5-chlorothiophen-2-yl)-N-(2-cyanophenyl)acetamide
CID 41340467
(2-cyanophenyl)urea
CID 13155570
N-(2-cyanophenyl)-2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide
CID 110774350
N-(2-cyanophenyl)-2-(1H-imidazol-5-yl)acetamide
CID 110684247

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide (CID 107021013) is N-(2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide is N#Cc1ccccc1NC(=O)Cc1ccc(S)cc1.
What is the InChIKey of N-(2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide?
The InChIKey is VIEJHYRWNLILSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c16-10-12-3-1-2-4-14(12)17-15(18)9-11-5-7-13(19)8-6-11/h1-8,19H,9H2,(H,17,18).
What are the key properties of N-(2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide?
N-(2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide has a molecular weight of 268.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107021013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).