4,5-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-carboxamide

C14H17NO2S — CID 51922993

IUPAC4,5-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc([C@@H](C)NC(=O)c2cc(C)c(C)s2)o1
InChIInChI=1S/C14H17NO2S/c1-8-7-13(18-11(8)4)14(16)15-10(3)12-6-5-9(2)17-12/h5-7,10H,1-4H3,(H,15,16)/t10-/m1/s1
InChIKeySSORRIABWNYNLD-SNVBAGLBSA-N
MW263.36 g/mol
LogP3.76
Rot. Bonds3

About 4,5-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-carboxamide

4,5-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 51922993) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 4,5-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID51922993
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name4,5-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc([C@@H](C)NC(=O)c2cc(C)c(C)s2)o1
InChIInChI=1S/C14H17NO2S/c1-8-7-13(18-11(8)4)14(16)15-10(3)12-6-5-9(2)17-12/h5-7,10H,1-4H3,(H,15,16)/t10-/m1/s1
InChIKeySSORRIABWNYNLD-SNVBAGLBSA-N
XLogP3.76
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 61138958
N-[1-(4-chlorophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 42906351
N-[(1R)-1-(4-bromophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 31495830
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]thiophene-2-carboxamide
CID 51187724
(2S)-2-[(4,5-dimethylthiophene-2-carbonyl)amino]propanoic acid
CID 61132299
4-hydroxy-3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 103951699
3,5-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46443441
5-methyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 94177083
3-fluoro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 51232444
3-amino-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 43703392
(2R)-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 79010793
(2S)-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 61137175

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-carboxamide (CID 51922993) is 4,5-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-carboxamide is Cc1ccc([C@@H](C)NC(=O)c2cc(C)c(C)s2)o1.
What is the InChIKey of 4,5-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is SSORRIABWNYNLD-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-8-7-13(18-11(8)4)14(16)15-10(3)12-6-5-9(2)17-12/h5-7,10H,1-4H3,(H,15,16)/t10-/m1/s1.
What are the key properties of 4,5-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-carboxamide?
4,5-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 263.36 g/mol, XLogP of 3.76, 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-[(1R)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 51922993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).