5-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N,N-diethylthiophene-2-carboxamide

C20H23ClN2O2S — CID 45215784

IUPAC5-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N,N-diethylthiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(C2CCCN2C(=O)c2cccc(Cl)c2)s1
InChIInChI=1S/C20H23ClN2O2S/c1-3-22(4-2)20(25)18-11-10-17(26-18)16-9-6-12-23(16)19(24)14-7-5-8-15(21)13-14/h5,7-8,10-11,13,16H,3-4,6,9,12H2,1-2H3
InChIKeyWWKIAZNUHAAVRD-UHFFFAOYSA-N
MW390.94 g/mol
LogP4.86
Rot. Bonds5

About 5-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N,N-diethylthiophene-2-carboxamide

5-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N,N-diethylthiophene-2-carboxamide (PubChem CID 45215784) has the molecular formula C20H23ClN2O2S and a molecular weight of 390.94 g/mol. Its IUPAC name is 5-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N,N-diethylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N,N-diethylthiophene-2-carboxamide
PubChem CID45215784
Molecular FormulaC20H23ClN2O2S
Molecular Weight390.94 g/mol
Exact Mass390.12
IUPAC Name5-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N,N-diethylthiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(C2CCCN2C(=O)c2cccc(Cl)c2)s1
InChIInChI=1S/C20H23ClN2O2S/c1-3-22(4-2)20(25)18-11-10-17(26-18)16-9-6-12-23(16)19(24)14-7-5-8-15(21)13-14/h5,7-8,10-11,13,16H,3-4,6,9,12H2,1-2H3
InChIKeyWWKIAZNUHAAVRD-UHFFFAOYSA-N
XLogP4.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-5-[1-[3-(1,2,4-triazol-4-yl)benzoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45210061
(3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 47102179
(3-chlorophenyl)-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone
CID 25491161
(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51728774
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
5-[(2R)-1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 95070357
(3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 47380034
5-[(2R)-1-(1-benzofuran-5-carbonyl)pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
CID 29056960
(3-chlorophenyl)-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 5040853
5-[(2R)-1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 95070175
(4-methylphenyl)-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone
CID 86952989
(3-chlorophenyl)-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 7225630

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N,N-diethylthiophene-2-carboxamide?
The IUPAC name of 5-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N,N-diethylthiophene-2-carboxamide (CID 45215784) is 5-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N,N-diethylthiophene-2-carboxamide.
What is the SMILES notation for 5-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N,N-diethylthiophene-2-carboxamide?
The canonical SMILES for 5-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N,N-diethylthiophene-2-carboxamide is CCN(CC)C(=O)c1ccc(C2CCCN2C(=O)c2cccc(Cl)c2)s1.
What is the InChIKey of 5-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N,N-diethylthiophene-2-carboxamide?
The InChIKey is WWKIAZNUHAAVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2S/c1-3-22(4-2)20(25)18-11-10-17(26-18)16-9-6-12-23(16)19(24)14-7-5-8-15(21)13-14/h5,7-8,10-11,13,16H,3-4,6,9,12H2,1-2H3.
What are the key properties of 5-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N,N-diethylthiophene-2-carboxamide?
5-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N,N-diethylthiophene-2-carboxamide has a molecular weight of 390.94 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N,N-diethylthiophene-2-carboxamide is sourced from PubChem (CID 45215784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).