5-[(3-methylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide

C25H21NO3S — CID 19465579

IUPAC5-[(3-methylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide
SMILESCc1cccc(OCc2ccc(C(=O)Nc3ccccc3Sc3ccccc3)o2)c1
InChIInChI=1S/C25H21NO3S/c1-18-8-7-9-19(16-18)28-17-20-14-15-23(29-20)25(27)26-22-12-5-6-13-24(22)30-21-10-3-2-4-11-21/h2-16H,17H2,1H3,(H,26,27)
InChIKeyJJIIVQNUBSDHKC-UHFFFAOYSA-N
MW415.51 g/mol
LogP6.57
Rot. Bonds7

About 5-[(3-methylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide

5-[(3-methylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide (PubChem CID 19465579) has the molecular formula C25H21NO3S and a molecular weight of 415.51 g/mol. Its IUPAC name is 5-[(3-methylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3-methylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide
PubChem CID19465579
Molecular FormulaC25H21NO3S
Molecular Weight415.51 g/mol
Exact Mass415.12
IUPAC Name5-[(3-methylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide
SMILESCc1cccc(OCc2ccc(C(=O)Nc3ccccc3Sc3ccccc3)o2)c1
InChIInChI=1S/C25H21NO3S/c1-18-8-7-9-19(16-18)28-17-20-14-15-23(29-20)25(27)26-22-12-5-6-13-24(22)30-21-10-3-2-4-11-21/h2-16H,17H2,1H3,(H,26,27)
InChIKeyJJIIVQNUBSDHKC-UHFFFAOYSA-N
XLogP6.57
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.51
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(3-methylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide
CID 19450775
N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19463234
5-[(4-butan-2-ylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide
CID 19450441
N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19451074
N-(2,6-dimethylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19465597
N-(2-fluoro-5-methylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467243
N-(3-methylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7464174
N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19456610
5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19467228
5-[(3-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 19465616
2-hydroxy-4-[[5-[(3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
CID 4899963
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-(phenoxymethyl)furan-2-carboxamide
CID 9467409

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide?
The IUPAC name of 5-[(3-methylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide (CID 19465579) is 5-[(3-methylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(3-methylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(3-methylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide is Cc1cccc(OCc2ccc(C(=O)Nc3ccccc3Sc3ccccc3)o2)c1.
What is the InChIKey of 5-[(3-methylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide?
The InChIKey is JJIIVQNUBSDHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3S/c1-18-8-7-9-19(16-18)28-17-20-14-15-23(29-20)25(27)26-22-12-5-6-13-24(22)30-21-10-3-2-4-11-21/h2-16H,17H2,1H3,(H,26,27).
What are the key properties of 5-[(3-methylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide?
5-[(3-methylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide has a molecular weight of 415.51 g/mol, XLogP of 6.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide is sourced from PubChem (CID 19465579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).