4,5-dimethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide

C12H17NO2S — CID 19585414

IUPAC4,5-dimethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC2CCCO2)sc1C
InChIInChI=1S/C12H17NO2S/c1-8-6-11(16-9(8)2)12(14)13-7-10-4-3-5-15-10/h6,10H,3-5,7H2,1-2H3,(H,13,14)
InChIKeyDUTXUNRWJZUIDB-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.27
Rot. Bonds3

About 4,5-dimethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide

4,5-dimethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 19585414) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 4,5-dimethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
PubChem CID19585414
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name4,5-dimethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC2CCCO2)sc1C
InChIInChI=1S/C12H17NO2S/c1-8-6-11(16-9(8)2)12(14)13-7-10-4-3-5-15-10/h6,10H,3-5,7H2,1-2H3,(H,13,14)
InChIKeyDUTXUNRWJZUIDB-UHFFFAOYSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophene-2-carboxamide, N-tetrahydrofurfuryl-
CID 531922
N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 4107004
N-(tetrahydrofuran-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 17191116
5-ethyl-N-(tetrahydrofuran-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 17191117
N-(tetrahydrofuran-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3240379
6-methyl-N-(tetrahydrofuran-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3245882
1'-[(5-methyl-2-thienyl)carbonyl]-N-(tetrahydrofuran-2-ylmethyl)-1,4'-bipiperidine-4-carboxamide
CID 16188614
5-methyl-N-(tetrahydrofuran-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 17191141
N-[1-(tetrahydro-2-furanyl)ethyl]-2-thiophenecarboxamide
CID 6466209
5-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 6467856
5-ethyl-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide
CID 6468094
N-[1-(oxolan-2-yl)ethyl]-5-propylthiophene-3-carboxamide
CID 6469294

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide (CID 19585414) is 4,5-dimethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide is Cc1cc(C(=O)NCC2CCCO2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is DUTXUNRWJZUIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-8-6-11(16-9(8)2)12(14)13-7-10-4-3-5-15-10/h6,10H,3-5,7H2,1-2H3,(H,13,14).
What are the key properties of 4,5-dimethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
4,5-dimethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 19585414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).