3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]thiophene-2-carboxamide

C12H17NO3S — CID 103849185

IUPAC3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]thiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NCC1(O)CCOC1
InChIInChI=1S/C12H17NO3S/c1-2-9-3-6-17-10(9)11(14)13-7-12(15)4-5-16-8-12/h3,6,15H,2,4-5,7-8H2,1H3,(H,13,14)
InChIKeyLGQHEBDWPXHBFH-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.19
Rot. Bonds4

About 3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]thiophene-2-carboxamide

3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 103849185) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]thiophene-2-carboxamide
PubChem CID103849185
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]thiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NCC1(O)CCOC1
InChIInChI=1S/C12H17NO3S/c1-2-9-3-6-17-10(9)11(14)13-7-12(15)4-5-16-8-12/h3,6,15H,2,4-5,7-8H2,1H3,(H,13,14)
InChIKeyLGQHEBDWPXHBFH-UHFFFAOYSA-N
XLogP1.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-2-carboxamide
CID 65119469
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-ethylthiophene-2-carboxamide
CID 60566864
2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103849383
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103849795
2-(4-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 113337956
N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide
CID 103848998
methyl 3-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]thiophene-2-carboxylate
CID 103848035
N'-(4-ethylphenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]oxamide
CID 119104015
5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide
CID 113337983
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylthiophene-2-carboxamide
CID 65123688
N-[(3-hydroxyoxolan-3-yl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 136521180
N-[(3-hydroxyoxolan-3-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 103849544

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]thiophene-2-carboxamide (CID 103849185) is 3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]thiophene-2-carboxamide is CCc1ccsc1C(=O)NCC1(O)CCOC1.
What is the InChIKey of 3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is LGQHEBDWPXHBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-2-9-3-6-17-10(9)11(14)13-7-12(15)4-5-16-8-12/h3,6,15H,2,4-5,7-8H2,1H3,(H,13,14).
What are the key properties of 3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]thiophene-2-carboxamide?
3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 103849185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).