5-chloro-N-methyl-N-(2-methylsulfanylethyl)furan-2-carboxamide

C9H12ClNO2S — CID 103747395

IUPAC5-chloro-N-methyl-N-(2-methylsulfanylethyl)furan-2-carboxamide
SMILESCSCCN(C)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C9H12ClNO2S/c1-11(5-6-14-2)9(12)7-3-4-8(10)13-7/h3-4H,5-6H2,1-2H3
InChIKeyAOPFEUDXUXVLRL-UHFFFAOYSA-N
MW233.72 g/mol
LogP2.37
Rot. Bonds4

About 5-chloro-N-methyl-N-(2-methylsulfanylethyl)furan-2-carboxamide

5-chloro-N-methyl-N-(2-methylsulfanylethyl)furan-2-carboxamide (PubChem CID 103747395) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(2-methylsulfanylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(2-methylsulfanylethyl)furan-2-carboxamide
PubChem CID103747395
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC Name5-chloro-N-methyl-N-(2-methylsulfanylethyl)furan-2-carboxamide
SMILESCSCCN(C)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C9H12ClNO2S/c1-11(5-6-14-2)9(12)7-3-4-8(10)13-7/h3-4H,5-6H2,1-2H3
InChIKeyAOPFEUDXUXVLRL-UHFFFAOYSA-N
XLogP2.37
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2-cyanoethyl)-N-methylfuran-2-carboxamide
CID 51075676
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CID 103612110
5-chloro-N-(5-hydroxypentyl)-N-methylfuran-2-carboxamide
CID 107199927
2-[(5-chlorofuran-2-carbonyl)-methylamino]acetic acid
CID 28790003
5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 103601901
5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide
CID 103604079
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methylfuran-2-carboxamide
CID 32754750
5-chloro-N-methyl-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 103601880
5-chloro-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylfuran-2-carboxamide
CID 103800995
3-chloro-4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112698184
4-[methyl(2-methylsulfanylethyl)carbamoyl]benzoic acid
CID 112555217
5-chloro-N-[(3-fluorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 86977899

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(2-methylsulfanylethyl)furan-2-carboxamide?
The IUPAC name of 5-chloro-N-methyl-N-(2-methylsulfanylethyl)furan-2-carboxamide (CID 103747395) is 5-chloro-N-methyl-N-(2-methylsulfanylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-N-(2-methylsulfanylethyl)furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-N-(2-methylsulfanylethyl)furan-2-carboxamide is CSCCN(C)C(=O)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-methyl-N-(2-methylsulfanylethyl)furan-2-carboxamide?
The InChIKey is AOPFEUDXUXVLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2S/c1-11(5-6-14-2)9(12)7-3-4-8(10)13-7/h3-4H,5-6H2,1-2H3.
What are the key properties of 5-chloro-N-methyl-N-(2-methylsulfanylethyl)furan-2-carboxamide?
5-chloro-N-methyl-N-(2-methylsulfanylethyl)furan-2-carboxamide has a molecular weight of 233.72 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(2-methylsulfanylethyl)furan-2-carboxamide is sourced from PubChem (CID 103747395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).