3-methoxy-N-propyl-N-pyrrolidin-3-ylthiophene-2-carboxamide

C13H20N2O2S — CID 81119139

IUPAC3-methoxy-N-propyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1sccc1OC)C1CCNC1
InChIInChI=1S/C13H20N2O2S/c1-3-7-15(10-4-6-14-9-10)13(16)12-11(17-2)5-8-18-12/h5,8,10,14H,3-4,6-7,9H2,1-2H3
InChIKeyIYLJJQHCQHPALF-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.97
Rot. Bonds5

About 3-methoxy-N-propyl-N-pyrrolidin-3-ylthiophene-2-carboxamide

3-methoxy-N-propyl-N-pyrrolidin-3-ylthiophene-2-carboxamide (PubChem CID 81119139) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-methoxy-N-propyl-N-pyrrolidin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-propyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
PubChem CID81119139
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-methoxy-N-propyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1sccc1OC)C1CCNC1
InChIInChI=1S/C13H20N2O2S/c1-3-7-15(10-4-6-14-9-10)13(16)12-11(17-2)5-8-18-12/h5,8,10,14H,3-4,6-7,9H2,1-2H3
InChIKeyIYLJJQHCQHPALF-UHFFFAOYSA-N
XLogP1.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-piperidin-3-yl-N-propylthiophene-2-carboxamide
CID 63636574
3,4,5-trimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530647
3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide
CID 80642602
N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-5-carboxamide
CID 119531080
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
2-fluoro-4,5-dimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530172
2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300965
2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60807367
2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide
CID 103806544
2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119529988
N-(2-bromoethyl)-N-cyclohexyl-3-methoxythiophene-2-carboxamide
CID 81129770
N-(2-cyanoethyl)-N-cyclopropyl-3-methoxythiophene-2-carboxamide
CID 78998920

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-propyl-N-pyrrolidin-3-ylthiophene-2-carboxamide?
The IUPAC name of 3-methoxy-N-propyl-N-pyrrolidin-3-ylthiophene-2-carboxamide (CID 81119139) is 3-methoxy-N-propyl-N-pyrrolidin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-propyl-N-pyrrolidin-3-ylthiophene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-propyl-N-pyrrolidin-3-ylthiophene-2-carboxamide is CCCN(C(=O)c1sccc1OC)C1CCNC1.
What is the InChIKey of 3-methoxy-N-propyl-N-pyrrolidin-3-ylthiophene-2-carboxamide?
The InChIKey is IYLJJQHCQHPALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-7-15(10-4-6-14-9-10)13(16)12-11(17-2)5-8-18-12/h5,8,10,14H,3-4,6-7,9H2,1-2H3.
What are the key properties of 3-methoxy-N-propyl-N-pyrrolidin-3-ylthiophene-2-carboxamide?
3-methoxy-N-propyl-N-pyrrolidin-3-ylthiophene-2-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-propyl-N-pyrrolidin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 81119139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).