(2S)-N-(2-methoxydibenzofuran-3-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide

C24H24N2O3S — CID 11944089

IUPAC(2S)-N-(2-methoxydibenzofuran-3-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
SMILESCOc1cc2c(cc1NC(=O)[C@H](C)N1CCC[C@@H]1c1cccs1)oc1ccccc12
InChIInChI=1S/C24H24N2O3S/c1-15(26-11-5-8-19(26)23-10-6-12-30-23)24(27)25-18-14-21-17(13-22(18)28-2)16-7-3-4-9-20(16)29-21/h3-4,6-7,9-10,12-15,19H,5,8,11H2,1-2H3,(H,25,27)/t15-,19+/m0/s1
InChIKeyAYHPWFAURHWGMP-HNAYVOBHSA-N
MW420.53 g/mol
LogP5.82
Rot. Bonds5

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

(2S)-N-(2-methoxydibenzofuran-3-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide (PubChem CID 11944089) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxydibenzofuran-3-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
PubChem CID11944089
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name(2S)-N-(2-methoxydibenzofuran-3-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
SMILESCOc1cc2c(cc1NC(=O)[C@H](C)N1CCC[C@@H]1c1cccs1)oc1ccccc12
InChIInChI=1S/C24H24N2O3S/c1-15(26-11-5-8-19(26)23-10-6-12-30-23)24(27)25-18-14-21-17(13-22(18)28-2)16-7-3-4-9-20(16)29-21/h3-4,6-7,9-10,12-15,19H,5,8,11H2,1-2H3,(H,25,27)/t15-,19+/m0/s1
InChIKeyAYHPWFAURHWGMP-HNAYVOBHSA-N
XLogP5.82
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 4560795
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 4880357
(2S)-N-(2-phenylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 11944077
(2R)-N-(2-methoxydibenzofuran-3-yl)-2-(thiophen-2-ylmethylamino)propanamide
CID 2415110
(2R)-N-(2-methoxydibenzofuran-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
CID 40937996
(2R)-N-pyrimidin-2-yl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 124829882
(2R)-N-(3-chlorophenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 9446715
N-(2-methoxydibenzofuran-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 43013525
N-(2-methoxydibenzofuran-3-yl)-2-piperidin-1-ylacetamide
CID 2697422
(2R)-N-(4-propan-2-ylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 11944107
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717571
(2R)-2-(azepan-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2462122

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide (CID 11944089) is (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide is COc1cc2c(cc1NC(=O)[C@H](C)N1CCC[C@@H]1c1cccs1)oc1ccccc12.
What is the InChIKey of (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide?
The InChIKey is AYHPWFAURHWGMP-HNAYVOBHSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-15(26-11-5-8-19(26)23-10-6-12-30-23)24(27)25-18-14-21-17(13-22(18)28-2)16-7-3-4-9-20(16)29-21/h3-4,6-7,9-10,12-15,19H,5,8,11H2,1-2H3,(H,25,27)/t15-,19+/m0/s1.
What are the key properties of (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide?
(2S)-N-(2-methoxydibenzofuran-3-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide has a molecular weight of 420.53 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 11944089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).