methyl 4-[[3-(furan-3-yl)-N-(thiomorpholine-4-carbonyl)anilino]methyl]benzoate

C24H24N2O4S — CID 175166485

IUPACmethyl 4-[[3-(furan-3-yl)-N-(thiomorpholine-4-carbonyl)anilino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(C(=O)N2CCSCC2)c2cccc(-c3ccoc3)c2)cc1
InChIInChI=1S/C24H24N2O4S/c1-29-23(27)19-7-5-18(6-8-19)16-26(24(28)25-10-13-31-14-11-25)22-4-2-3-20(15-22)21-9-12-30-17-21/h2-9,12,15,17H,10-11,13-14,16H2,1H3
InChIKeySYZBKZGCTWTKJV-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.91
Rot. Bonds5

About methyl 4-[[3-(furan-3-yl)-N-(thiomorpholine-4-carbonyl)anilino]methyl]benzoate

methyl 4-[[3-(furan-3-yl)-N-(thiomorpholine-4-carbonyl)anilino]methyl]benzoate (PubChem CID 175166485) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is methyl 4-[[3-(furan-3-yl)-N-(thiomorpholine-4-carbonyl)anilino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-(furan-3-yl)-N-(thiomorpholine-4-carbonyl)anilino]methyl]benzoate
PubChem CID175166485
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Namemethyl 4-[[3-(furan-3-yl)-N-(thiomorpholine-4-carbonyl)anilino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(C(=O)N2CCSCC2)c2cccc(-c3ccoc3)c2)cc1
InChIInChI=1S/C24H24N2O4S/c1-29-23(27)19-7-5-18(6-8-19)16-26(24(28)25-10-13-31-14-11-25)22-4-2-3-20(15-22)21-9-12-30-17-21/h2-9,12,15,17H,10-11,13-14,16H2,1H3
InChIKeySYZBKZGCTWTKJV-UHFFFAOYSA-N
XLogP4.91
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[3-(furan-3-yl)-N-(thiomorpholine-4-carbonyl)anilino]methyl]benzoate with MolForge

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Related Compounds

methyl 4-[[3-phenyl-N-(piperidine-1-carbonyl)anilino]methyl]benzoate
CID 160695024
methyl 4-[(N-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-3-phenylanilino)methyl]benzoate
CID 140894306
methyl 4-[[N-(piperidine-1-carbonyl)-3-pyridin-3-ylanilino]methyl]benzoate
CID 158775998
methyl 4-[[3-(1-methylindazol-6-yl)-N-(piperidine-1-carbonyl)anilino]methyl]benzoate
CID 158523107
methyl 4-[(N-(4-ethylpiperazine-1-carbonyl)anilino)methyl]benzoate
CID 134584602
methyl 4-[[3-fluoro-N-(morpholine-4-carbonyl)anilino]methyl]benzoate;morpholine-4-carboxamide
CID 175784630
methyl 4-[(N-(4,4-difluoropiperidine-1-carbonyl)anilino)methyl]benzoate
CID 134584224
N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-[3-(furan-3-yl)phenyl]-4-methylpiperazine-1-carboxamide
CID 140894209
methyl 4-[[(2S,6R)-4-[3-(furan-3-yl)benzoyl]-2,6-dimethylpiperazin-1-yl]methyl]benzoate
CID 118367221
N-[[4-(2-aminoacetyl)phenyl]methyl]-N-phenylazetidine-1-carboxamide;methyl 4-[[N-(azetidine-1-carbonyl)anilino]methyl]benzoate
CID 160602978
methyl 4-[[4-fluoro-3-methyl-N-(morpholine-4-carbonyl)anilino]methyl]benzoate
CID 163940319
methyl 4-[[4-methylsulfanyl-N-(morpholine-4-carbonyl)anilino]methyl]benzoate
CID 140894821

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(furan-3-yl)-N-(thiomorpholine-4-carbonyl)anilino]methyl]benzoate?
The IUPAC name of methyl 4-[[3-(furan-3-yl)-N-(thiomorpholine-4-carbonyl)anilino]methyl]benzoate (CID 175166485) is methyl 4-[[3-(furan-3-yl)-N-(thiomorpholine-4-carbonyl)anilino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[3-(furan-3-yl)-N-(thiomorpholine-4-carbonyl)anilino]methyl]benzoate?
The canonical SMILES for methyl 4-[[3-(furan-3-yl)-N-(thiomorpholine-4-carbonyl)anilino]methyl]benzoate is COC(=O)c1ccc(CN(C(=O)N2CCSCC2)c2cccc(-c3ccoc3)c2)cc1.
What is the InChIKey of methyl 4-[[3-(furan-3-yl)-N-(thiomorpholine-4-carbonyl)anilino]methyl]benzoate?
The InChIKey is SYZBKZGCTWTKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-29-23(27)19-7-5-18(6-8-19)16-26(24(28)25-10-13-31-14-11-25)22-4-2-3-20(15-22)21-9-12-30-17-21/h2-9,12,15,17H,10-11,13-14,16H2,1H3.
What are the key properties of methyl 4-[[3-(furan-3-yl)-N-(thiomorpholine-4-carbonyl)anilino]methyl]benzoate?
methyl 4-[[3-(furan-3-yl)-N-(thiomorpholine-4-carbonyl)anilino]methyl]benzoate has a molecular weight of 436.53 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(furan-3-yl)-N-(thiomorpholine-4-carbonyl)anilino]methyl]benzoate is sourced from PubChem (CID 175166485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).