3-methoxy-5-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide

C13H20N2O2S — CID 119537568

IUPAC3-methoxy-5-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
SMILESCOc1cc(C)sc1C(=O)NCCC1CCNC1
InChIInChI=1S/C13H20N2O2S/c1-9-7-11(17-2)12(18-9)13(16)15-6-4-10-3-5-14-8-10/h7,10,14H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyOPQGLVZDAONBMC-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.79
Rot. Bonds5

About 3-methoxy-5-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide

3-methoxy-5-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide (PubChem CID 119537568) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-methoxy-5-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-5-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
PubChem CID119537568
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-methoxy-5-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
SMILESCOc1cc(C)sc1C(=O)NCCC1CCNC1
InChIInChI=1S/C13H20N2O2S/c1-9-7-11(17-2)12(18-9)13(16)15-6-4-10-3-5-14-8-10/h7,10,14H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyOPQGLVZDAONBMC-UHFFFAOYSA-N
XLogP1.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119453724
3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624894
3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628220
2-(3,4-dimethoxyphenyl)-4-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide
CID 119536560
3-methoxy-5-methyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119428596
2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535388
4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630238
4-(4-methoxyphenyl)-5-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 119533300
N-(2-pyrrolidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119537060
5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537854
2,3,4-trimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535878
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 3-methoxy-5-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide (CID 119537568) is 3-methoxy-5-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methoxy-5-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-methoxy-5-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide is COc1cc(C)sc1C(=O)NCCC1CCNC1.
What is the InChIKey of 3-methoxy-5-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide?
The InChIKey is OPQGLVZDAONBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9-7-11(17-2)12(18-9)13(16)15-6-4-10-3-5-14-8-10/h7,10,14H,3-6,8H2,1-2H3,(H,15,16).
What are the key properties of 3-methoxy-5-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide?
3-methoxy-5-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 119537568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).