5-[(2R)-1-(1-benzofuran-5-carbonyl)pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide

C21H22N2O3S — CID 29056960

IUPAC5-[(2R)-1-(1-benzofuran-5-carbonyl)pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1ccc([C@H]2CCCN2C(=O)c2ccc3occc3c2)s1
InChIInChI=1S/C21H22N2O3S/c1-2-10-22-20(24)19-8-7-18(27-19)16-4-3-11-23(16)21(25)15-5-6-17-14(13-15)9-12-26-17/h5-9,12-13,16H,2-4,10-11H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyROBBHUOWEOQFDY-MRXNPFEDSA-N
MW382.49 g/mol
LogP4.61
Rot. Bonds5

About 5-[(2R)-1-(1-benzofuran-5-carbonyl)pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide

5-[(2R)-1-(1-benzofuran-5-carbonyl)pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide (PubChem CID 29056960) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 5-[(2R)-1-(1-benzofuran-5-carbonyl)pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(2R)-1-(1-benzofuran-5-carbonyl)pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
PubChem CID29056960
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name5-[(2R)-1-(1-benzofuran-5-carbonyl)pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1ccc([C@H]2CCCN2C(=O)c2ccc3occc3c2)s1
InChIInChI=1S/C21H22N2O3S/c1-2-10-22-20(24)19-8-7-18(27-19)16-4-3-11-23(16)21(25)15-5-6-17-14(13-15)9-12-26-17/h5-9,12-13,16H,2-4,10-11H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyROBBHUOWEOQFDY-MRXNPFEDSA-N
XLogP4.61
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
CID 45220914
5-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N,N-diethylthiophene-2-carboxamide
CID 45215784
5-[(2R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
CID 28882648
5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-ethylthiophene-2-carboxamide
CID 45183238
(4-methylphenyl)-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone
CID 86952989
5-[1-(furan-3-carbonyl)pyrrolidin-2-yl]-N-(1-methyl-1,2,4-triazol-3-yl)thiophene-2-carboxamide
CID 45231508
N,N-dimethyl-5-[1-[3-(1,2,4-triazol-4-yl)benzoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45210061
N-methyl-5-[1-(2H-triazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 56907734
5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-(2-methyl-1-benzofuran-5-yl)thiophene-2-carboxamide
CID 45169433
5-[1-(2-methylsulfanylacetyl)pyrrolidin-2-yl]-N-(3-pyrazol-1-ylpropyl)thiophene-2-carboxamide
CID 45202930
1-[3-(propylcarbamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119355514
N-[2-(2-hydroxyethoxy)ethyl]-5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45213273

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-(1-benzofuran-5-carbonyl)pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide?
The IUPAC name of 5-[(2R)-1-(1-benzofuran-5-carbonyl)pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide (CID 29056960) is 5-[(2R)-1-(1-benzofuran-5-carbonyl)pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 5-[(2R)-1-(1-benzofuran-5-carbonyl)pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide?
The canonical SMILES for 5-[(2R)-1-(1-benzofuran-5-carbonyl)pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide is CCCNC(=O)c1ccc([C@H]2CCCN2C(=O)c2ccc3occc3c2)s1.
What is the InChIKey of 5-[(2R)-1-(1-benzofuran-5-carbonyl)pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide?
The InChIKey is ROBBHUOWEOQFDY-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-2-10-22-20(24)19-8-7-18(27-19)16-4-3-11-23(16)21(25)15-5-6-17-14(13-15)9-12-26-17/h5-9,12-13,16H,2-4,10-11H2,1H3,(H,22,24)/t16-/m1/s1.
What are the key properties of 5-[(2R)-1-(1-benzofuran-5-carbonyl)pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide?
5-[(2R)-1-(1-benzofuran-5-carbonyl)pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-(1-benzofuran-5-carbonyl)pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 29056960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).