N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiophene-2-carboxamide

C13H16N2O2S — CID 4884562

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiophene-2-carboxamide
SMILESCN(C)C(CNC(=O)c1cccs1)c1ccco1
InChIInChI=1S/C13H16N2O2S/c1-15(2)10(11-5-3-7-17-11)9-14-13(16)12-6-4-8-18-12/h3-8,10H,9H2,1-2H3,(H,14,16)
InChIKeyZLRZSYJJUNSNJU-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.37
Rot. Bonds5

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiophene-2-carboxamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 4884562) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID4884562
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiophene-2-carboxamide
SMILESCN(C)C(CNC(=O)c1cccs1)c1ccco1
InChIInChI=1S/C13H16N2O2S/c1-15(2)10(11-5-3-7-17-11)9-14-13(16)12-6-4-8-18-12/h3-8,10H,9H2,1-2H3,(H,14,16)
InChIKeyZLRZSYJJUNSNJU-UHFFFAOYSA-N
XLogP2.37
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 573774
4-bromo-5-ethyl-N-(2-furylmethyl)-2-thiophenecarboxamide
CID 1247646
N-(furan-2-ylmethyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]sulfanylpropanamide
CID 557197
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 3191424
N-[1-{[(2-furylmethyl)amino]carbonyl}-2-(2-thienyl)vinyl]benzamide
CID 2177140
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-nitrothiophene-2-carboxamide
CID 4839353
N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide
CID 19585268
3-hydroxy-5-(5-methyl-2-furyl)-1-[2-(4-morpholinyl)ethyl]-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2909894
N-Furan-2-ylmethyl-2-phenylsulfanyl-acetamide
CID 800685
N-Cyclopentyl-2-[furan-2-ylmethyl-(2-thiophen-2-yl-acetyl)-amino]-2-thiophen-3-yl-acetamide
CID 648156
2-Benzenesulfonylamino-N-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-N-thiophen-2-ylmethyl-acetamide
CID 651765
N-Furan-2-ylmethyl-2-{[(furan-2-ylmethyl)-carbamoyl]-methylsulfanyl}-acetamide
CID 653402

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiophene-2-carboxamide (CID 4884562) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiophene-2-carboxamide is CN(C)C(CNC(=O)c1cccs1)c1ccco1.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is ZLRZSYJJUNSNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-15(2)10(11-5-3-7-17-11)9-14-13(16)12-6-4-8-18-12/h3-8,10H,9H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiophene-2-carboxamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 4884562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).