N-(3-chloro-4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide

C14H11ClN2O2S — CID 112780784

IUPACN-(3-chloro-4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
SMILESN#Cc1ccc(NC(=O)CSCc2ccco2)cc1Cl
InChIInChI=1S/C14H11ClN2O2S/c15-13-6-11(4-3-10(13)7-16)17-14(18)9-20-8-12-2-1-5-19-12/h1-6H,8-9H2,(H,17,18)
InChIKeyVEZXWQQRAFFNRK-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.68
Rot. Bonds5

About N-(3-chloro-4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide

N-(3-chloro-4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide (PubChem CID 112780784) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
PubChem CID112780784
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
SMILESN#Cc1ccc(NC(=O)CSCc2ccco2)cc1Cl
InChIInChI=1S/C14H11ClN2O2S/c15-13-6-11(4-3-10(13)7-16)17-14(18)9-20-8-12-2-1-5-19-12/h1-6H,8-9H2,(H,17,18)
InChIKeyVEZXWQQRAFFNRK-UHFFFAOYSA-N
XLogP3.68
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-cyanophenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide
CID 86910978
N'-(3-chloro-4-cyanophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]oxamide
CID 55751321
N-(4-bromophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 4279150
3-[5-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]sulfanyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide
CID 30284259
N-(3-chloro-4-cyanophenyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7416407
2-amino-4-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 60920200
3-(3-chloro-4-cyanophenyl)-1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]urea
CID 87009116
N-(3-chloro-4-cyanophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 3539401
N-(cyanomethyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 56794182
2-(furan-2-ylmethylsulfanyl)-N-(3-sulfamoylphenyl)acetamide
CID 112780774
2-(4-bromophenyl)sulfanyl-N-(3-chloro-4-cyanophenyl)acetamide
CID 16527847
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] carbamimidothioate
CID 60641836

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide (CID 112780784) is N-(3-chloro-4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide is N#Cc1ccc(NC(=O)CSCc2ccco2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide?
The InChIKey is VEZXWQQRAFFNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c15-13-6-11(4-3-10(13)7-16)17-14(18)9-20-8-12-2-1-5-19-12/h1-6H,8-9H2,(H,17,18).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide?
N-(3-chloro-4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide has a molecular weight of 306.77 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 112780784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).