methyl 1-[4-[(3-methoxyphenoxy)methyl]thiophene-2-carbonyl]pyrrolidine-2-carboxylate

C19H21NO5S — CID 19500982

IUPACmethyl 1-[4-[(3-methoxyphenoxy)methyl]thiophene-2-carbonyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1cc(COc2cccc(OC)c2)cs1
InChIInChI=1S/C19H21NO5S/c1-23-14-5-3-6-15(10-14)25-11-13-9-17(26-12-13)18(21)20-8-4-7-16(20)19(22)24-2/h3,5-6,9-10,12,16H,4,7-8,11H2,1-2H3
InChIKeyDPJGQRGEDGTFHJ-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.11
Rot. Bonds6

About methyl 1-[4-[(3-methoxyphenoxy)methyl]thiophene-2-carbonyl]pyrrolidine-2-carboxylate

methyl 1-[4-[(3-methoxyphenoxy)methyl]thiophene-2-carbonyl]pyrrolidine-2-carboxylate (PubChem CID 19500982) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is methyl 1-[4-[(3-methoxyphenoxy)methyl]thiophene-2-carbonyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-[(3-methoxyphenoxy)methyl]thiophene-2-carbonyl]pyrrolidine-2-carboxylate
PubChem CID19500982
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Namemethyl 1-[4-[(3-methoxyphenoxy)methyl]thiophene-2-carbonyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1cc(COc2cccc(OC)c2)cs1
InChIInChI=1S/C19H21NO5S/c1-23-14-5-3-6-15(10-14)25-11-13-9-17(26-12-13)18(21)20-8-4-7-16(20)19(22)24-2/h3,5-6,9-10,12,16H,4,7-8,11H2,1-2H3
InChIKeyDPJGQRGEDGTFHJ-UHFFFAOYSA-N
XLogP3.11
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylate
CID 19486614
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501
[4-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophen-2-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19486517
methyl (2R)-1-[2-(3-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835955
[4-[(4-methoxyphenoxy)methyl]thiophen-2-yl]-pyrrolidin-1-ylmethanone
CID 19499165
[4-[(3-chlorophenoxy)methyl]thiophen-2-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19505248
ethyl 1-(4-methoxythiophene-2-carbonyl)piperidine-2-carboxylate
CID 79461401
(3-methoxyphenyl)methyl 1-butanoylpyrrolidine-2-carboxylate
CID 60529591
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[4-[(3-methoxyphenoxy)methyl]thiophen-2-yl]methanone
CID 19500961
(2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 39165023
4-[(3-methoxyphenoxy)methyl]-N-(1-phenylethyl)thiophene-2-carboxamide
CID 19500919

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-[(3-methoxyphenoxy)methyl]thiophene-2-carbonyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[4-[(3-methoxyphenoxy)methyl]thiophene-2-carbonyl]pyrrolidine-2-carboxylate (CID 19500982) is methyl 1-[4-[(3-methoxyphenoxy)methyl]thiophene-2-carbonyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[4-[(3-methoxyphenoxy)methyl]thiophene-2-carbonyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[4-[(3-methoxyphenoxy)methyl]thiophene-2-carbonyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1cc(COc2cccc(OC)c2)cs1.
What is the InChIKey of methyl 1-[4-[(3-methoxyphenoxy)methyl]thiophene-2-carbonyl]pyrrolidine-2-carboxylate?
The InChIKey is DPJGQRGEDGTFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-23-14-5-3-6-15(10-14)25-11-13-9-17(26-12-13)18(21)20-8-4-7-16(20)19(22)24-2/h3,5-6,9-10,12,16H,4,7-8,11H2,1-2H3.
What are the key properties of methyl 1-[4-[(3-methoxyphenoxy)methyl]thiophene-2-carbonyl]pyrrolidine-2-carboxylate?
methyl 1-[4-[(3-methoxyphenoxy)methyl]thiophene-2-carbonyl]pyrrolidine-2-carboxylate has a molecular weight of 375.45 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-[(3-methoxyphenoxy)methyl]thiophene-2-carbonyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 19500982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).