methyl 1-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylate

C20H20N2O4S — CID 55941427

IUPACmethyl 1-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)[C@@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C20H20N2O4S/c1-26-20(25)14-6-7-15-13(12-14)8-10-22(15)18(23)16-4-2-9-21(16)19(24)17-5-3-11-27-17/h3,5-7,11-12,16H,2,4,8-10H2,1H3/t16-/m0/s1
InChIKeyUMBBWBDBSLCTQB-INIZCTEOSA-N
MW384.46 g/mol
LogP2.73
Rot. Bonds3

About methyl 1-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylate

methyl 1-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylate (PubChem CID 55941427) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is methyl 1-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylate
PubChem CID55941427
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Namemethyl 1-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)[C@@H]1CCCN1C(=O)c1cccs1
InChIInChI=1S/C20H20N2O4S/c1-26-20(25)14-6-7-15-13(12-14)8-10-22(15)18(23)16-4-2-9-21(16)19(24)17-5-3-11-27-17/h3,5-7,11-12,16H,2,4,8-10H2,1H3/t16-/m0/s1
InChIKeyUMBBWBDBSLCTQB-INIZCTEOSA-N
XLogP2.73
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
CID 55940972
methyl 3-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate
CID 9323125
methyl 1-(cyclohexanecarbonyl)-2,3-dihydroindole-5-carboxylate
CID 86917335
methyl 4-chloro-3-[[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]amino]benzoate
CID 78844646
methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
methyl 1-[1-(3,5-dimethoxybenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-5-carboxylate
CID 55759063
[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
CID 41080918
(1-benzoylpyrrolidin-2-yl)-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112822377
(2R)-N-methylsulfonyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 94188023
N-(3,5-dimethoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 17406462
methyl 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroindole-5-carboxylate
CID 55871361
methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917334

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylate?
The IUPAC name of methyl 1-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylate (CID 55941427) is methyl 1-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylate.
What is the SMILES notation for methyl 1-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylate?
The canonical SMILES for methyl 1-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylate is COC(=O)c1ccc2c(c1)CCN2C(=O)[C@@H]1CCCN1C(=O)c1cccs1.
What is the InChIKey of methyl 1-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylate?
The InChIKey is UMBBWBDBSLCTQB-INIZCTEOSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-26-20(25)14-6-7-15-13(12-14)8-10-22(15)18(23)16-4-2-9-21(16)19(24)17-5-3-11-27-17/h3,5-7,11-12,16H,2,4,8-10H2,1H3/t16-/m0/s1.
What are the key properties of methyl 1-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylate?
methyl 1-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylate has a molecular weight of 384.46 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylate is sourced from PubChem (CID 55941427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).