4-ethyl-N-methyl-5-propyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide

C17H28N2OS — CID 56510511

IUPAC4-ethyl-N-methyl-5-propyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
SMILESCCCc1sc(C(=O)N(C)CCN2CCCC2)cc1CC
InChIInChI=1S/C17H28N2OS/c1-4-8-15-14(5-2)13-16(21-15)17(20)18(3)11-12-19-9-6-7-10-19/h13H,4-12H2,1-3H3
InChIKeyRCEPPQAVEHSGPT-UHFFFAOYSA-N
MW308.49 g/mol
LogP3.43
Rot. Bonds7

About 4-ethyl-N-methyl-5-propyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide

4-ethyl-N-methyl-5-propyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide (PubChem CID 56510511) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is 4-ethyl-N-methyl-5-propyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-methyl-5-propyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
PubChem CID56510511
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name4-ethyl-N-methyl-5-propyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
SMILESCCCc1sc(C(=O)N(C)CCN2CCCC2)cc1CC
InChIInChI=1S/C17H28N2OS/c1-4-8-15-14(5-2)13-16(21-15)17(20)18(3)11-12-19-9-6-7-10-19/h13H,4-12H2,1-3H3
InChIKeyRCEPPQAVEHSGPT-UHFFFAOYSA-N
XLogP3.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-5-propyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 4-ethyl-N-methyl-5-propyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide (CID 56510511) is 4-ethyl-N-methyl-5-propyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-methyl-5-propyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-N-methyl-5-propyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide is CCCc1sc(C(=O)N(C)CCN2CCCC2)cc1CC.
What is the InChIKey of 4-ethyl-N-methyl-5-propyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
The InChIKey is RCEPPQAVEHSGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-4-8-15-14(5-2)13-16(21-15)17(20)18(3)11-12-19-9-6-7-10-19/h13H,4-12H2,1-3H3.
What are the key properties of 4-ethyl-N-methyl-5-propyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
4-ethyl-N-methyl-5-propyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide has a molecular weight of 308.49 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-5-propyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 56510511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).