(2R)-N-[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

C20H29N3O3S — CID 7014031

IUPAC(2R)-N-[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC[C@@](C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C20H29N3O3S/c1-3-20(2,19(26)21-14-7-4-5-8-14)23(13-15-9-6-12-27-15)18(25)16-10-11-17(24)22-16/h6,9,12,14,16H,3-5,7-8,10-11,13H2,1-2H3,(H,21,26)(H,22,24)/t16-,20+/m1/s1
InChIKeyFWVNESRONZZDRS-UZLBHIALSA-N
MW391.54 g/mol
LogP2.58
Rot. Bonds7

About (2R)-N-[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

(2R)-N-[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 7014031) has the molecular formula C20H29N3O3S and a molecular weight of 391.54 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID7014031
Molecular FormulaC20H29N3O3S
Molecular Weight391.54 g/mol
Exact Mass391.19
IUPAC Name(2R)-N-[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCC[C@@](C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C20H29N3O3S/c1-3-20(2,19(26)21-14-7-4-5-8-14)23(13-15-9-6-12-27-15)18(25)16-10-11-17(24)22-16/h6,9,12,14,16H,3-5,7-8,10-11,13H2,1-2H3,(H,21,26)(H,22,24)/t16-,20+/m1/s1
InChIKeyFWVNESRONZZDRS-UZLBHIALSA-N
XLogP2.58
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 7012216
(2R)-N-[(2R)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 124716854
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 3933880
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
CID 1083930
N,N-bis(thiophen-2-ylmethyl)piperidine-2-carboxamide
CID 60936813
3-cyclooctyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)thiourea
CID 17065604
N-methyl-N-(thiophen-2-ylmethyl)azepane-2-carboxamide
CID 64563589
N-[(2R)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide
CID 6940630
5-N-cyclooctyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-3-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 42471037
N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 7107433
N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 3245139

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (CID 7014031) is (2R)-N-[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is CC[C@@](C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)[C@H]1CCC(=O)N1.
What is the InChIKey of (2R)-N-[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is FWVNESRONZZDRS-UZLBHIALSA-N. The full InChI is InChI=1S/C20H29N3O3S/c1-3-20(2,19(26)21-14-7-4-5-8-14)23(13-15-9-6-12-27-15)18(25)16-10-11-17(24)22-16/h6,9,12,14,16H,3-5,7-8,10-11,13H2,1-2H3,(H,21,26)(H,22,24)/t16-,20+/m1/s1.
What are the key properties of (2R)-N-[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
(2R)-N-[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 391.54 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 7014031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).