2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide

C15H11ClN2OS — CID 734703

IUPAC2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H11ClN2OS/c16-12-4-6-14(7-5-12)20-10-15(19)18-13-3-1-2-11(8-13)9-17/h1-8H,10H2,(H,18,19)
InChIKeyRHRHGYIGZOAHSQ-UHFFFAOYSA-N
MW302.79 g/mol
LogP3.94
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide (PubChem CID 734703) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide
PubChem CID734703
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H11ClN2OS/c16-12-4-6-14(7-5-12)20-10-15(19)18-13-3-1-2-11(8-13)9-17/h1-8H,10H2,(H,18,19)
InChIKeyRHRHGYIGZOAHSQ-UHFFFAOYSA-N
XLogP3.94
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 62646994
3-(3-chlorophenyl)sulfanyl-N-(3-cyanophenyl)propanamide
CID 62647174
2-(4-amino-3-methylphenyl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 79126956
[2-(3-cyanoanilino)-2-oxoethyl] 4-(4-chlorophenyl)sulfanylbutanoate
CID 7191792
1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
CID 721971
2-[3-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanyl-N-(3-cyanophenyl)acetamide
CID 23790391
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 33227721
N-(3-cyanophenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide
CID 112695469
3-[(4-chlorophenyl)methylamino]-N-(3-cyanophenyl)propanamide
CID 109021937
2-[(2-chlorophenyl)methylsulfanyl]-N-(3-cyanophenyl)acetamide
CID 9269727
2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-cyanophenyl)acetamide
CID 46925274
[2-(3-cyanoanilino)-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate
CID 8526637

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide (CID 734703) is 2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide is N#Cc1cccc(NC(=O)CSc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide?
The InChIKey is RHRHGYIGZOAHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c16-12-4-6-14(7-5-12)20-10-15(19)18-13-3-1-2-11(8-13)9-17/h1-8H,10H2,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide has a molecular weight of 302.79 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 734703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).