2-chloro-N-(3-methylsulfanylphenyl)furan-3-carboxamide

C12H10ClNO2S — CID 106685166

IUPAC2-chloro-N-(3-methylsulfanylphenyl)furan-3-carboxamide
SMILESCSc1cccc(NC(=O)c2ccoc2Cl)c1
InChIInChI=1S/C12H10ClNO2S/c1-17-9-4-2-3-8(7-9)14-12(15)10-5-6-16-11(10)13/h2-7H,1H3,(H,14,15)
InChIKeyPNIHFRMPAZZGNS-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.91
Rot. Bonds3

About 2-chloro-N-(3-methylsulfanylphenyl)furan-3-carboxamide

2-chloro-N-(3-methylsulfanylphenyl)furan-3-carboxamide (PubChem CID 106685166) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is 2-chloro-N-(3-methylsulfanylphenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-methylsulfanylphenyl)furan-3-carboxamide
PubChem CID106685166
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Name2-chloro-N-(3-methylsulfanylphenyl)furan-3-carboxamide
SMILESCSc1cccc(NC(=O)c2ccoc2Cl)c1
InChIInChI=1S/C12H10ClNO2S/c1-17-9-4-2-3-8(7-9)14-12(15)10-5-6-16-11(10)13/h2-7H,1H3,(H,14,15)
InChIKeyPNIHFRMPAZZGNS-UHFFFAOYSA-N
XLogP3.91
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-(propanoylamino)phenyl]furan-3-carboxamide
CID 106686546
2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide
CID 115539942
2-chloro-N-(3-chlorophenyl)-5-methylsulfanylbenzamide
CID 24638890
2-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 836481
6-chloro-N-(3-methylsulfanylphenyl)pyridazine-3-carboxamide
CID 54927218
2-chloro-N-(4-fluoro-3-methylphenyl)furan-3-carboxamide
CID 106686753
2-chloro-N-[3-(propylcarbamoyl)phenyl]furan-3-carboxamide
CID 106685876
N-(3-acetylphenyl)-2-chloro-5-methylsulfanylbenzamide
CID 34829216
2-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]furan-3-carboxamide
CID 106913105
2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide
CID 4802933
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
8-chloro-N-(3-methylsulfanylphenyl)-2-oxochromene-3-carboxamide
CID 100794846

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylsulfanylphenyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(3-methylsulfanylphenyl)furan-3-carboxamide (CID 106685166) is 2-chloro-N-(3-methylsulfanylphenyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-methylsulfanylphenyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(3-methylsulfanylphenyl)furan-3-carboxamide is CSc1cccc(NC(=O)c2ccoc2Cl)c1.
What is the InChIKey of 2-chloro-N-(3-methylsulfanylphenyl)furan-3-carboxamide?
The InChIKey is PNIHFRMPAZZGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c1-17-9-4-2-3-8(7-9)14-12(15)10-5-6-16-11(10)13/h2-7H,1H3,(H,14,15).
What are the key properties of 2-chloro-N-(3-methylsulfanylphenyl)furan-3-carboxamide?
2-chloro-N-(3-methylsulfanylphenyl)furan-3-carboxamide has a molecular weight of 267.74 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylsulfanylphenyl)furan-3-carboxamide is sourced from PubChem (CID 106685166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).