N-(2,1,3-benzoxadiazol-4-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide

C18H13N3O3S — CID 4897775

IUPACN-(2,1,3-benzoxadiazol-4-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESO=C(Nc1cccc2nonc12)c1ccc(CSc2ccccc2)o1
InChIInChI=1S/C18H13N3O3S/c22-18(19-14-7-4-8-15-17(14)21-24-20-15)16-10-9-12(23-16)11-25-13-5-2-1-3-6-13/h1-10H,11H2,(H,19,22)
InChIKeyNVQGQVDUAXKPGG-UHFFFAOYSA-N
MW351.39 g/mol
LogP4.36
Rot. Bonds5

About N-(2,1,3-benzoxadiazol-4-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide

N-(2,1,3-benzoxadiazol-4-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide (PubChem CID 4897775) has the molecular formula C18H13N3O3S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-4-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-4-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
PubChem CID4897775
Molecular FormulaC18H13N3O3S
Molecular Weight351.39 g/mol
Exact Mass351.07
IUPAC NameN-(2,1,3-benzoxadiazol-4-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESO=C(Nc1cccc2nonc12)c1ccc(CSc2ccccc2)o1
InChIInChI=1S/C18H13N3O3S/c22-18(19-14-7-4-8-15-17(14)21-24-20-15)16-10-9-12(23-16)11-25-13-5-2-1-3-6-13/h1-10H,11H2,(H,19,22)
InChIKeyNVQGQVDUAXKPGG-UHFFFAOYSA-N
XLogP4.36
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,1,3-benzoxadiazol-4-yl)-5-(phenylsulfanylmethyl)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

N-(2,1,3-benzoxadiazol-4-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 4972157
N-(2-methoxyphenyl)-5-[(4-methylphenyl)sulfanylmethyl]furan-2-carboxamide
CID 2985786
[4-[[5-(phenylsulfanylmethyl)furan-2-carbonyl]amino]phenyl] thiocyanate
CID 2985076
5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 82041274
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 2973100
N-(3-methylbutan-2-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 43056886
N-(2,1,3-benzoxadiazol-4-yl)-2,5-dimethylfuran-3-carboxamide
CID 4898255
N-(2,1,3-benzoxadiazol-4-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 4902362
ethyl 4-phenyl-2-[[5-(phenylsulfanylmethyl)furan-2-carbonyl]amino]thiophene-3-carboxylate
CID 18863261
N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 163304702
N-[4-[[5-(hydrazinecarbonyl)furan-2-yl]methylsulfanyl]phenyl]acetamide
CID 63582844
5-[(4-chlorophenyl)sulfanylmethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 2804180

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-4-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-4-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide (CID 4897775) is N-(2,1,3-benzoxadiazol-4-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-4-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-4-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide is O=C(Nc1cccc2nonc12)c1ccc(CSc2ccccc2)o1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-4-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is NVQGQVDUAXKPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S/c22-18(19-14-7-4-8-15-17(14)21-24-20-15)16-10-9-12(23-16)11-25-13-5-2-1-3-6-13/h1-10H,11H2,(H,19,22).
What are the key properties of N-(2,1,3-benzoxadiazol-4-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide?
N-(2,1,3-benzoxadiazol-4-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 351.39 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-4-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 4897775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).