methyl 2-[[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylate

C24H24N2O4S — CID 56580779

IUPACmethyl 2-[[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CSc1ccccc1C(=O)N1CCC(Nc2ccccc2)C1
InChIInChI=1S/C24H24N2O4S/c1-29-24(28)19-12-14-30-21(19)16-31-22-10-6-5-9-20(22)23(27)26-13-11-18(15-26)25-17-7-3-2-4-8-17/h2-10,12,14,18,25H,11,13,15-16H2,1H3
InChIKeyQXOSKTHXUFMOKS-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.69
Rot. Bonds7

About methyl 2-[[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylate

methyl 2-[[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylate (PubChem CID 56580779) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is methyl 2-[[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylate
PubChem CID56580779
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Namemethyl 2-[[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CSc1ccccc1C(=O)N1CCC(Nc2ccccc2)C1
InChIInChI=1S/C24H24N2O4S/c1-29-24(28)19-12-14-30-21(19)16-31-22-10-6-5-9-20(22)23(27)26-13-11-18(15-26)25-17-7-3-2-4-8-17/h2-10,12,14,18,25H,11,13,15-16H2,1H3
InChIKeyQXOSKTHXUFMOKS-UHFFFAOYSA-N
XLogP4.69
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylate with MolForge

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Related Compounds

methyl 2-[[2-[3-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]phenyl]sulfanylmethyl]furan-3-carboxylate
CID 56547716
2-[[2-[3-(2-methoxyethoxy)azetidine-1-carbonyl]phenyl]sulfanylmethyl]furan-3-carboxylic acid
CID 119186890
2-[[2-(2-carbamoylmorpholine-4-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylic acid
CID 119183357
2-[[2-(2,2,6-trimethylmorpholine-4-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylic acid
CID 119182395
2-[(3-ethoxycarbonylfuran-2-yl)methylsulfanyl]benzoic acid
CID 43244832
N-[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]-4-methoxybenzamide
CID 56504081
2-[[2-[cyclobutylmethyl(methyl)carbamoyl]phenyl]sulfanylmethyl]furan-3-carboxylic acid
CID 119183986
(3-anilinopyrrolidin-1-yl)-[2-(4-ethoxyanilino)-3-pyridinyl]methanone
CID 56533430
2-[[2-(dicyclopropylmethylcarbamoyl)phenyl]sulfanylmethyl]furan-3-carboxylic acid
CID 119180062
2-[[2-(2-cyclopropylethylcarbamoyl)phenyl]sulfanylmethyl]furan-3-carboxylic acid
CID 120692043
2-[[2-[cyclopropylmethyl(ethyl)carbamoyl]phenyl]sulfanylmethyl]furan-3-carboxylic acid
CID 119185074
2-[(2-methoxycarbonylfuran-3-yl)methylsulfanyl]benzoic acid
CID 43244839

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylate (CID 56580779) is methyl 2-[[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylate is COC(=O)c1ccoc1CSc1ccccc1C(=O)N1CCC(Nc2ccccc2)C1.
What is the InChIKey of methyl 2-[[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylate?
The InChIKey is QXOSKTHXUFMOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-29-24(28)19-12-14-30-21(19)16-31-22-10-6-5-9-20(22)23(27)26-13-11-18(15-26)25-17-7-3-2-4-8-17/h2-10,12,14,18,25H,11,13,15-16H2,1H3.
What are the key properties of methyl 2-[[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylate?
methyl 2-[[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylate has a molecular weight of 436.53 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]sulfanylmethyl]furan-3-carboxylate is sourced from PubChem (CID 56580779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).