2-[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]sulfanyl-N-phenylacetamide

C20H18N2O3S — CID 1266069

IUPAC2-[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]sulfanyl-N-phenylacetamide
SMILESCOc1ccc(/N=C/c2ccc(SCC(=O)Nc3ccccc3)o2)cc1
InChIInChI=1S/C20H18N2O3S/c1-24-17-9-7-15(8-10-17)21-13-18-11-12-20(25-18)26-14-19(23)22-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,22,23)/b21-13+
InChIKeyAILDMWWHCBOHKT-FYJGNVAPSA-N
MW366.44 g/mol
LogP4.77
Rot. Bonds7

About 2-[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]sulfanyl-N-phenylacetamide

2-[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]sulfanyl-N-phenylacetamide (PubChem CID 1266069) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]sulfanyl-N-phenylacetamide
PubChem CID1266069
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name2-[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]sulfanyl-N-phenylacetamide
SMILESCOc1ccc(/N=C/c2ccc(SCC(=O)Nc3ccccc3)o2)cc1
InChIInChI=1S/C20H18N2O3S/c1-24-17-9-7-15(8-10-17)21-13-18-11-12-20(25-18)26-14-19(23)22-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,22,23)/b21-13+
InChIKeyAILDMWWHCBOHKT-FYJGNVAPSA-N
XLogP4.77
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 94832090
2-[(4-methoxyphenyl)methylideneamino]-N-phenylacetamide
CID 70606724
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
2-[2,6-dibromo-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126218291
2-[4-[(4-bromophenyl)iminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 94832076
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
2-[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
CID 5429334
N'-(benzylideneamino)-N-(4-methoxyphenyl)propanediamide
CID 5156637
2-(4-methoxyphenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 28565140
2-[1-(4-methoxyphenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide
CID 5200480
4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzoic acid
CID 47094711
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 1240644

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]sulfanyl-N-phenylacetamide (CID 1266069) is 2-[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]sulfanyl-N-phenylacetamide is COc1ccc(/N=C/c2ccc(SCC(=O)Nc3ccccc3)o2)cc1.
What is the InChIKey of 2-[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]sulfanyl-N-phenylacetamide?
The InChIKey is AILDMWWHCBOHKT-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-24-17-9-7-15(8-10-17)21-13-18-11-12-20(25-18)26-14-19(23)22-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,22,23)/b21-13+.
What are the key properties of 2-[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]sulfanyl-N-phenylacetamide?
2-[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]sulfanyl-N-phenylacetamide has a molecular weight of 366.44 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 1266069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).