(2S,4R)-4-amino-1-(5-methyl-4-phenylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide

C20H25N3O2S — CID 56713782

IUPAC(2S,4R)-4-amino-1-(5-methyl-4-phenylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCc1scc(C(=O)N2C[C@H](N)C[C@H]2C(=O)NC(C)C)c1-c1ccccc1
InChIInChI=1S/C20H25N3O2S/c1-12(2)22-19(24)17-9-15(21)10-23(17)20(25)16-11-26-13(3)18(16)14-7-5-4-6-8-14/h4-8,11-12,15,17H,9-10,21H2,1-3H3,(H,22,24)/t15-,17+/m1/s1
InChIKeyHORVAOKNBFJGTN-WBVHZDCISA-N
MW371.51 g/mol
LogP2.79
Rot. Bonds4

About (2S,4R)-4-amino-1-(5-methyl-4-phenylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide

(2S,4R)-4-amino-1-(5-methyl-4-phenylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 56713782) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is (2S,4R)-4-amino-1-(5-methyl-4-phenylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-1-(5-methyl-4-phenylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID56713782
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name(2S,4R)-4-amino-1-(5-methyl-4-phenylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCc1scc(C(=O)N2C[C@H](N)C[C@H]2C(=O)NC(C)C)c1-c1ccccc1
InChIInChI=1S/C20H25N3O2S/c1-12(2)22-19(24)17-9-15(21)10-23(17)20(25)16-11-26-13(3)18(16)14-7-5-4-6-8-14/h4-8,11-12,15,17H,9-10,21H2,1-3H3,(H,22,24)/t15-,17+/m1/s1
InChIKeyHORVAOKNBFJGTN-WBVHZDCISA-N
XLogP2.79
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3R)-3-{[2-oxo-2-(thiophen-3-yl)ethyl]amino}butyl]benzamide
CID 23647084
Proline scaffold, 28
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CID 2179888
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4786487
5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide
CID 4787702
N-(2-{[2-(4-methylphenyl)ethyl]amino}-2-oxoethyl)thiophene-2-carboxamide
CID 5127938
N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide
CID 7809163
N-[1-(2,4-difluorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 16281807
N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 18107541
3-Oxo-2-propyl-N-[1-(thiophen-2-YL)ethyl]-2,3-dihydro-1H-isoindole-4-carboxamide
CID 9551005
N-(2,3-dimethylcyclohexyl)-3-oxo-2-(thien-2-ylmethyl)isoindoline-1-carboxamide
CID 3558177

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-1-(5-methyl-4-phenylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-1-(5-methyl-4-phenylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide (CID 56713782) is (2S,4R)-4-amino-1-(5-methyl-4-phenylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-1-(5-methyl-4-phenylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-1-(5-methyl-4-phenylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide is Cc1scc(C(=O)N2C[C@H](N)C[C@H]2C(=O)NC(C)C)c1-c1ccccc1.
What is the InChIKey of (2S,4R)-4-amino-1-(5-methyl-4-phenylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is HORVAOKNBFJGTN-WBVHZDCISA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-12(2)22-19(24)17-9-15(21)10-23(17)20(25)16-11-26-13(3)18(16)14-7-5-4-6-8-14/h4-8,11-12,15,17H,9-10,21H2,1-3H3,(H,22,24)/t15-,17+/m1/s1.
What are the key properties of (2S,4R)-4-amino-1-(5-methyl-4-phenylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S,4R)-4-amino-1-(5-methyl-4-phenylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-1-(5-methyl-4-phenylthiophene-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56713782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).