2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide

C12H12ClNO2S — CID 106686239

IUPAC2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide
SMILESCCN(Cc1cccs1)C(=O)c1ccoc1Cl
InChIInChI=1S/C12H12ClNO2S/c1-2-14(8-9-4-3-7-17-9)12(15)10-5-6-16-11(10)13/h3-7H,2,8H2,1H3
InChIKeyQQQYBLUSVFDKDO-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.66
Rot. Bonds4

About 2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide

2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide (PubChem CID 106686239) has the molecular formula C12H12ClNO2S and a molecular weight of 269.75 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide
PubChem CID106686239
Molecular FormulaC12H12ClNO2S
Molecular Weight269.75 g/mol
Exact Mass269.03
IUPAC Name2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide
SMILESCCN(Cc1cccs1)C(=O)c1ccoc1Cl
InChIInChI=1S/C12H12ClNO2S/c1-2-14(8-9-4-3-7-17-9)12(15)10-5-6-16-11(10)13/h3-7H,2,8H2,1H3
InChIKeyQQQYBLUSVFDKDO-UHFFFAOYSA-N
XLogP3.66
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-ethyl-5-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
CID 107024588
4-chloro-N-ethyl-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide
CID 60655635
4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801917
N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 107358620
2-chloro-N-ethyl-N-(2-methylprop-2-enyl)furan-3-carboxamide
CID 106685319
N-ethyl-2,4-dihydroxy-N-(thiophen-2-ylmethyl)benzamide
CID 103602482
2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106686648
N-ethyl-2-hydroxy-5-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 60655389
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
6-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 61437390
2-amino-N-ethyl-3-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 62660536
N-ethyl-2-fluoro-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79770274

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide (CID 106686239) is 2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide is CCN(Cc1cccs1)C(=O)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide?
The InChIKey is QQQYBLUSVFDKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2S/c1-2-14(8-9-4-3-7-17-9)12(15)10-5-6-16-11(10)13/h3-7H,2,8H2,1H3.
What are the key properties of 2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide?
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide has a molecular weight of 269.75 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 106686239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).