N-(5-chloro-2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide

C15H11ClN2OS — CID 107031090

IUPACN-(5-chloro-2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C15H11ClN2OS/c16-12-4-3-11(9-17)14(8-12)18-15(19)7-10-1-5-13(20)6-2-10/h1-6,8,20H,7H2,(H,18,19)
InChIKeyUMPBJVRKSCSIEF-UHFFFAOYSA-N
MW302.79 g/mol
LogP3.68
Rot. Bonds3

About N-(5-chloro-2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide

N-(5-chloro-2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide (PubChem CID 107031090) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide
PubChem CID107031090
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C15H11ClN2OS/c16-12-4-3-11(9-17)14(8-12)18-15(19)7-10-1-5-13(20)6-2-10/h1-6,8,20H,7H2,(H,18,19)
InChIKeyUMPBJVRKSCSIEF-UHFFFAOYSA-N
XLogP3.68
TPSA52.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 53.68
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-(2,5-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107019725
N-(2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107021013
N-(5-chloro-2-cyanophenyl)-2-(2-chlorophenyl)acetamide
CID 60628654
N-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide
CID 60645682
N-(5-chloro-2-cyanophenyl)-2-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9390056
N-(5-chloro-2-cyanophenyl)hexanamide
CID 60628682
N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide
CID 9102944
N-(5-bromo-2-cyanophenyl)-2-(3-chlorophenyl)acetamide
CID 104880434
N-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide
CID 54917775
2-(azetidin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide
CID 64616779
N-(5-chloro-2-cyanophenyl)-3-(propan-2-ylamino)propanamide
CID 54920661
5-(5-chloro-2-cyanoanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 60708253

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide (CID 107031090) is N-(5-chloro-2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide is N#Cc1ccc(Cl)cc1NC(=O)Cc1ccc(S)cc1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide?
The InChIKey is UMPBJVRKSCSIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c16-12-4-3-11(9-17)14(8-12)18-15(19)7-10-1-5-13(20)6-2-10/h1-6,8,20H,7H2,(H,18,19).
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide?
N-(5-chloro-2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide has a molecular weight of 302.79 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107031090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).