N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide

C14H22N2O2S — CID 19864622

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1sc(C)cc1OC
InChIInChI=1S/C14H22N2O2S/c1-4-16-7-5-6-11(16)9-15-14(17)13-12(18-3)8-10(2)19-13/h8,11H,4-7,9H2,1-3H3,(H,15,17)
InChIKeyDCFAIULPJJBCPZ-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.28
Rot. Bonds5

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide (PubChem CID 19864622) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide
PubChem CID19864622
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1sc(C)cc1OC
InChIInChI=1S/C14H22N2O2S/c1-4-16-7-5-6-11(16)9-15-14(17)13-12(18-3)8-10(2)19-13/h8,11H,4-7,9H2,1-3H3,(H,15,17)
InChIKeyDCFAIULPJJBCPZ-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-anilinoethyl)-3-methoxy-5-methylthiophene-2-carboxamide
CID 71991092
[3-(Difluoromethoxy)-5-methylthiophen-2-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 72014074
(4-Cyclopropylpiperazin-1-yl)-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone
CID 72014113
N-[3-[benzyl(methyl)amino]-3-oxopropyl]-3-methoxy-5-methylthiophene-2-carboxamide
CID 72014818
(+/-) N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-methoxy-4,5-dimethylthiophene-2-carboxamide
CID 14647687
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfanyl-3-methoxythiophene-2-carboxamide
CID 19864625
3-(difluoromethoxy)-N-[4-(dimethylamino)butan-2-yl]-5-methylthiophene-2-carboxamide
CID 56790601
(4aR*,7aS*)-1-ethyl-4-[(3-methoxy-5-methyl-2-thienyl)carbonyl]octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70722185
3-methoxy-5-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide
CID 71847677
3-(difluoromethoxy)-5-methyl-N-(1-oxothiolan-3-yl)thiophene-2-carboxamide
CID 71867296
3-(difluoromethoxy)-5-methyl-N-[4-(oxolan-2-yl)butan-2-yl]thiophene-2-carboxamide
CID 72014099
[3-(Difluoromethoxy)-5-methylthiophen-2-yl]-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
CID 72134852

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide (CID 19864622) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide is CCN1CCCC1CNC(=O)c1sc(C)cc1OC.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide?
The InChIKey is DCFAIULPJJBCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-4-16-7-5-6-11(16)9-15-14(17)13-12(18-3)8-10(2)19-13/h8,11H,4-7,9H2,1-3H3,(H,15,17).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 2.28, 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-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 19864622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).