methyl 3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate

C17H19NO5S2 — CID 18148414

IUPACmethyl 3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N1CCCC1c1ccc(OC)cc1
InChIInChI=1S/C17H19NO5S2/c1-22-13-7-5-12(6-8-13)14-4-3-10-18(14)25(20,21)15-9-11-24-16(15)17(19)23-2/h5-9,11,14H,3-4,10H2,1-2H3
InChIKeyPJSBFWVKPGZVPX-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.07
Rot. Bonds5

About methyl 3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate

methyl 3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate (PubChem CID 18148414) has the molecular formula C17H19NO5S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is methyl 3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate
PubChem CID18148414
Molecular FormulaC17H19NO5S2
Molecular Weight381.48 g/mol
Exact Mass381.07
IUPAC Namemethyl 3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N1CCCC1c1ccc(OC)cc1
InChIInChI=1S/C17H19NO5S2/c1-22-13-7-5-12(6-8-13)14-4-3-10-18(14)25(20,21)15-9-11-24-16(15)17(19)23-2/h5-9,11,14H,3-4,10H2,1-2H3
InChIKeyPJSBFWVKPGZVPX-UHFFFAOYSA-N
XLogP3.07
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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1-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)pyrrolidine
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CID 99985493
2-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidine
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methyl 3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]sulfonyl]thiophene-2-carboxylate
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methyl 3-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylate
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methyl 3-(4-phenylpiperidin-1-yl)sulfonylthiophene-2-carboxylate
CID 39698835
1-(2-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)azepane
CID 53096243
methyl 3-[[(1R,5R)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]sulfonyl]thiophene-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate (CID 18148414) is methyl 3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)N1CCCC1c1ccc(OC)cc1.
What is the InChIKey of methyl 3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate?
The InChIKey is PJSBFWVKPGZVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S2/c1-22-13-7-5-12(6-8-13)14-4-3-10-18(14)25(20,21)15-9-11-24-16(15)17(19)23-2/h5-9,11,14H,3-4,10H2,1-2H3.
What are the key properties of methyl 3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate?
methyl 3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate has a molecular weight of 381.48 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate is sourced from PubChem (CID 18148414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).