methyl 3-[[(2S)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]thiophene-2-carboxylate

C17H17FN2O3S — CID 51694845

IUPACmethyl 3-[[(2S)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)N1CCC[C@H]1c1cccc(F)c1
InChIInChI=1S/C17H17FN2O3S/c1-23-16(21)15-13(7-9-24-15)19-17(22)20-8-3-6-14(20)11-4-2-5-12(18)10-11/h2,4-5,7,9-10,14H,3,6,8H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyTWVWDTFOIAVCSR-AWEZNQCLSA-N
MW348.40 g/mol
LogP4.04
Rot. Bonds3

About methyl 3-[[(2S)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]thiophene-2-carboxylate

methyl 3-[[(2S)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]thiophene-2-carboxylate (PubChem CID 51694845) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is methyl 3-[[(2S)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(2S)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]thiophene-2-carboxylate
PubChem CID51694845
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Namemethyl 3-[[(2S)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)N1CCC[C@H]1c1cccc(F)c1
InChIInChI=1S/C17H17FN2O3S/c1-23-16(21)15-13(7-9-24-15)19-17(22)20-8-3-6-14(20)11-4-2-5-12(18)10-11/h2,4-5,7,9-10,14H,3,6,8H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyTWVWDTFOIAVCSR-AWEZNQCLSA-N
XLogP4.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[(2S)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(2,4-difluorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856636
methyl N-[3-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]phenyl]carbamate
CID 87035285
(2R)-N-(2,5-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51855870
methyl 5-[[(2R)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate
CID 94647532
N-(2-chlorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 50746949
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 50746912
methyl 3-[[(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]amino]thiophene-2-carboxylate
CID 95057749
(2S)-N-(1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51694842
1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one
CID 136578063
(2R)-N-(4-ethoxyphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51855796
(2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide
CID 95053549
(2S)-N-(2-methoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 94080897

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2S)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[(2S)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]thiophene-2-carboxylate (CID 51694845) is methyl 3-[[(2S)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[(2S)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[(2S)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)N1CCC[C@H]1c1cccc(F)c1.
What is the InChIKey of methyl 3-[[(2S)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]thiophene-2-carboxylate?
The InChIKey is TWVWDTFOIAVCSR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-23-16(21)15-13(7-9-24-15)19-17(22)20-8-3-6-14(20)11-4-2-5-12(18)10-11/h2,4-5,7,9-10,14H,3,6,8H2,1H3,(H,19,22)/t14-/m0/s1.
What are the key properties of methyl 3-[[(2S)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]thiophene-2-carboxylate?
methyl 3-[[(2S)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]thiophene-2-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2S)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 51694845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).