3-cyclopropyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide

C21H26N2O2S — CID 166195680

IUPAC3-cyclopropyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2sccc2C2CC2)N2CCCC2)c1
InChIInChI=1S/C21H26N2O2S/c1-25-17-6-4-5-16(13-17)19(23-10-2-3-11-23)14-22-21(24)20-18(9-12-26-20)15-7-8-15/h4-6,9,12-13,15,19H,2-3,7-8,10-11,14H2,1H3,(H,22,24)
InChIKeyMCLKUEPBPCYOPR-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.20
Rot. Bonds7

About 3-cyclopropyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide

3-cyclopropyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide (PubChem CID 166195680) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
PubChem CID166195680
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name3-cyclopropyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2sccc2C2CC2)N2CCCC2)c1
InChIInChI=1S/C21H26N2O2S/c1-25-17-6-4-5-16(13-17)19(23-10-2-3-11-23)14-22-21(24)20-18(9-12-26-20)15-7-8-15/h4-6,9,12-13,15,19H,2-3,7-8,10-11,14H2,1H3,(H,22,24)
InChIKeyMCLKUEPBPCYOPR-UHFFFAOYSA-N
XLogP4.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
1-cyclopropyl-3-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophen-3-ylmethyl)urea
CID 71883834
2,6-dimethoxy-N-[2-(3-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 112506691
4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005778
3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005771
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]azocane-1-carboxamide
CID 112806953
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,2-dimethylpropanamide
CID 134026624
2-(4-aminophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 119832172
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethylbenzamide
CID 43007764
3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005762
5-(methoxymethyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
CID 78840080
2-(4-aminophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide;dihydrochloride
CID 119832171

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide (CID 166195680) is 3-cyclopropyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide is COc1cccc(C(CNC(=O)c2sccc2C2CC2)N2CCCC2)c1.
What is the InChIKey of 3-cyclopropyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
The InChIKey is MCLKUEPBPCYOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-25-17-6-4-5-16(13-17)19(23-10-2-3-11-23)14-22-21(24)20-18(9-12-26-20)15-7-8-15/h4-6,9,12-13,15,19H,2-3,7-8,10-11,14H2,1H3,(H,22,24).
What are the key properties of 3-cyclopropyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide?
3-cyclopropyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 166195680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).