(2R)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide

C16H20N2O2S — CID 51957994

IUPAC(2R)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESCc1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2c2cccs2)o1
InChIInChI=1S/C16H20N2O2S/c1-11-7-8-14(20-11)12(2)17-16(19)18-9-3-5-13(18)15-6-4-10-21-15/h4,6-8,10,12-13H,3,5,9H2,1-2H3,(H,17,19)/t12-,13-/m1/s1
InChIKeyDDGLXBSMVNCDAR-CHWSQXEVSA-N
MW304.42 g/mol
LogP4.26
Rot. Bonds3

About (2R)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide

(2R)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide (PubChem CID 51957994) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
PubChem CID51957994
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name(2R)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESCc1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2c2cccs2)o1
InChIInChI=1S/C16H20N2O2S/c1-11-7-8-14(20-11)12(2)17-16(19)18-9-3-5-13(18)15-6-4-10-21-15/h4,6-8,10,12-13H,3,5,9H2,1-2H3,(H,17,19)/t12-,13-/m1/s1
InChIKeyDDGLXBSMVNCDAR-CHWSQXEVSA-N
XLogP4.26
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 94120095
(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 100836454
3-methyl-1-[1-(5-methylfuran-2-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 107071464
ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 95358480
N-(4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 22586874
2-(3,5-dimethylpyrazol-1-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
CID 47993168
3-[(2-thiophen-2-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122019481
(2R)-N-(3-fluoro-4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51550933
(2S)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 92500015
N-[3-(2-methoxypropanoylamino)phenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 48643647
(2R)-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 95238632
(2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51960032

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide (CID 51957994) is (2R)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide is Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2c2cccs2)o1.
What is the InChIKey of (2R)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The InChIKey is DDGLXBSMVNCDAR-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-7-8-14(20-11)12(2)17-16(19)18-9-3-5-13(18)15-6-4-10-21-15/h4,6-8,10,12-13H,3,5,9H2,1-2H3,(H,17,19)/t12-,13-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
(2R)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 51957994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).