(2R)-N-(1,3-benzodioxol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide

C18H20N2O3S — CID 124838819

IUPAC(2R)-N-(1,3-benzodioxol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC[C@H]1c1ccsc1
InChIInChI=1S/C18H20N2O3S/c1-12(20-7-2-3-15(20)13-6-8-24-10-13)18(21)19-14-4-5-16-17(9-14)23-11-22-16/h4-6,8-10,12,15H,2-3,7,11H2,1H3,(H,19,21)/t12-,15+/m1/s1
InChIKeyQWZVPRKFQCPYDC-DOMZBBRYSA-N
MW344.44 g/mol
LogP3.64
Rot. Bonds4

About (2R)-N-(1,3-benzodioxol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide

(2R)-N-(1,3-benzodioxol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide (PubChem CID 124838819) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is (2R)-N-(1,3-benzodioxol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(1,3-benzodioxol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
PubChem CID124838819
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name(2R)-N-(1,3-benzodioxol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC[C@H]1c1ccsc1
InChIInChI=1S/C18H20N2O3S/c1-12(20-7-2-3-15(20)13-6-8-24-10-13)18(21)19-14-4-5-16-17(9-14)23-11-22-16/h4-6,8-10,12,15H,2-3,7,11H2,1H3,(H,19,21)/t12-,15+/m1/s1
InChIKeyQWZVPRKFQCPYDC-DOMZBBRYSA-N
XLogP3.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
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(2R)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
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(2S)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
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(2R)-N-(3-acetylphenyl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]propanamide
CID 11943714
N-(1,3-benzodioxol-5-yl)-5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]thiophene-2-carboxamide
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CID 11939355
1-[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
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(3S)-1-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 9304678
2-(1,3-benzodioxol-5-yl)-N-thiophen-3-ylpyrrolidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-benzodioxol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide?
The IUPAC name of (2R)-N-(1,3-benzodioxol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide (CID 124838819) is (2R)-N-(1,3-benzodioxol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(1,3-benzodioxol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(1,3-benzodioxol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide is C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCC[C@H]1c1ccsc1.
What is the InChIKey of (2R)-N-(1,3-benzodioxol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide?
The InChIKey is QWZVPRKFQCPYDC-DOMZBBRYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12(20-7-2-3-15(20)13-6-8-24-10-13)18(21)19-14-4-5-16-17(9-14)23-11-22-16/h4-6,8-10,12,15H,2-3,7,11H2,1H3,(H,19,21)/t12-,15+/m1/s1.
What are the key properties of (2R)-N-(1,3-benzodioxol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide?
(2R)-N-(1,3-benzodioxol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide has a molecular weight of 344.44 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,3-benzodioxol-5-yl)-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 124838819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).