2-chloro-N-[(3-ethylthiophen-2-yl)methyl]furan-3-carboxamide

C12H12ClNO2S — CID 106687031

IUPAC2-chloro-N-[(3-ethylthiophen-2-yl)methyl]furan-3-carboxamide
SMILESCCc1ccsc1CNC(=O)c1ccoc1Cl
InChIInChI=1S/C12H12ClNO2S/c1-2-8-4-6-17-10(8)7-14-12(15)9-3-5-16-11(9)13/h3-6H,2,7H2,1H3,(H,14,15)
InChIKeyPMNUPSIMTRNYNX-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.49
Rot. Bonds4

About 2-chloro-N-[(3-ethylthiophen-2-yl)methyl]furan-3-carboxamide

2-chloro-N-[(3-ethylthiophen-2-yl)methyl]furan-3-carboxamide (PubChem CID 106687031) has the molecular formula C12H12ClNO2S and a molecular weight of 269.75 g/mol. Its IUPAC name is 2-chloro-N-[(3-ethylthiophen-2-yl)methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(3-ethylthiophen-2-yl)methyl]furan-3-carboxamide
PubChem CID106687031
Molecular FormulaC12H12ClNO2S
Molecular Weight269.75 g/mol
Exact Mass269.03
IUPAC Name2-chloro-N-[(3-ethylthiophen-2-yl)methyl]furan-3-carboxamide
SMILESCCc1ccsc1CNC(=O)c1ccoc1Cl
InChIInChI=1S/C12H12ClNO2S/c1-2-8-4-6-17-10(8)7-14-12(15)9-3-5-16-11(9)13/h3-6H,2,7H2,1H3,(H,14,15)
InChIKeyPMNUPSIMTRNYNX-UHFFFAOYSA-N
XLogP3.49
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(1,3-thiazol-2-ylmethyl)furan-3-carboxamide
CID 106686593
2-chloro-N-propylfuran-3-carboxamide
CID 106685121
N-[(3-ethylthiophen-2-yl)methyl]-3-(methylamino)pyridine-4-carboxamide
CID 105070736
1-ethyl-3-[(3-ethylthiophen-2-yl)methyl]urea
CID 115686537
3-[(3-ethylthiophen-2-yl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369810
2-chloro-N-(3-methyl-2-oxobutyl)furan-3-carboxamide
CID 106685015
N-[(3-ethylthiophen-2-yl)methyl]-2-hydroxy-3-nitrobenzamide
CID 103800416
3-[(3-ethylthiophen-2-yl)methylamino]-2,2-dimethyl-3-oxopropanoic acid
CID 82820650
2-chloro-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide
CID 106686527
4-(bromomethyl)-N-[(3-ethylthiophen-2-yl)methyl]benzamide
CID 102851859
2-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylpropanamide
CID 114328918
2-chloro-N-[2-(diethylamino)ethyl]furan-3-carboxamide
CID 106685261

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-ethylthiophen-2-yl)methyl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[(3-ethylthiophen-2-yl)methyl]furan-3-carboxamide (CID 106687031) is 2-chloro-N-[(3-ethylthiophen-2-yl)methyl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(3-ethylthiophen-2-yl)methyl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(3-ethylthiophen-2-yl)methyl]furan-3-carboxamide is CCc1ccsc1CNC(=O)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-[(3-ethylthiophen-2-yl)methyl]furan-3-carboxamide?
The InChIKey is PMNUPSIMTRNYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2S/c1-2-8-4-6-17-10(8)7-14-12(15)9-3-5-16-11(9)13/h3-6H,2,7H2,1H3,(H,14,15).
What are the key properties of 2-chloro-N-[(3-ethylthiophen-2-yl)methyl]furan-3-carboxamide?
2-chloro-N-[(3-ethylthiophen-2-yl)methyl]furan-3-carboxamide has a molecular weight of 269.75 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-ethylthiophen-2-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 106687031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).