N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4,5-dimethylthiophene-2-carboxamide

C15H24N2O2S — CID 14647687

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4,5-dimethylthiophene-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1sc(C)c(C)c1OC
InChIInChI=1S/C15H24N2O2S/c1-5-17-8-6-7-12(17)9-16-15(18)14-13(19-4)10(2)11(3)20-14/h12H,5-9H2,1-4H3,(H,16,18)
InChIKeyZSCKMQGOZGKFHG-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.59
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4,5-dimethylthiophene-2-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4,5-dimethylthiophene-2-carboxamide (PubChem CID 14647687) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4,5-dimethylthiophene-2-carboxamide
PubChem CID14647687
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4,5-dimethylthiophene-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1sc(C)c(C)c1OC
InChIInChI=1S/C15H24N2O2S/c1-5-17-8-6-7-12(17)9-16-15(18)14-13(19-4)10(2)11(3)20-14/h12H,5-9H2,1-4H3,(H,16,18)
InChIKeyZSCKMQGOZGKFHG-UHFFFAOYSA-N
XLogP2.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide
CID 19864622
N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4-dimethoxythiophene-2-carboxamide
CID 44209142
3-(difluoromethoxy)-5-methyl-N-(1-methylpyrrolidin-3-yl)thiophene-2-carboxamide
CID 56790600
3-(difluoromethoxy)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-methylthiophene-2-carboxamide
CID 72014086
3-(difluoromethoxy)-5-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 72014122
3-(difluoromethoxy)-5-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]thiophene-2-carboxamide
CID 95627606
3-(difluoromethoxy)-5-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]thiophene-2-carboxamide
CID 95627607
3-(difluoromethoxy)-5-methyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 95899594
3-(difluoromethoxy)-5-methyl-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]thiophene-2-carboxamide
CID 95899595
3-(difluoromethoxy)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-methylthiophene-2-carboxamide
CID 96547513
3-(difluoromethoxy)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-methylthiophene-2-carboxamide
CID 96547514
[(3R)-3-aminopyrrolidin-1-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone
CID 119413525

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4,5-dimethylthiophene-2-carboxamide (CID 14647687) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4,5-dimethylthiophene-2-carboxamide is CCN1CCCC1CNC(=O)c1sc(C)c(C)c1OC.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is ZSCKMQGOZGKFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-5-17-8-6-7-12(17)9-16-15(18)14-13(19-4)10(2)11(3)20-14/h12H,5-9H2,1-4H3,(H,16,18).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4,5-dimethylthiophene-2-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 14647687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).