N-[[5-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide

C17H16N4O5S — CID 3237395

IUPACN-[[5-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
SMILESCOc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)o2)c1
InChIInChI=1S/C17H16N4O5S/c1-24-12-5-2-4-11(8-12)19-14(22)10-27-17-21-20-15(26-17)9-18-16(23)13-6-3-7-25-13/h2-8H,9-10H2,1H3,(H,18,23)(H,19,22)
InChIKeyXVWNCGLMSFBYDU-UHFFFAOYSA-N
MW388.41 g/mol
LogP2.33
Rot. Bonds8

About N-[[5-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide

N-[[5-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide (PubChem CID 3237395) has the molecular formula C17H16N4O5S and a molecular weight of 388.41 g/mol. Its IUPAC name is N-[[5-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[5-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
PubChem CID3237395
Molecular FormulaC17H16N4O5S
Molecular Weight388.41 g/mol
Exact Mass388.08
IUPAC NameN-[[5-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
SMILESCOc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)o2)c1
InChIInChI=1S/C17H16N4O5S/c1-24-12-5-2-4-11(8-12)19-14(22)10-27-17-21-20-15(26-17)9-18-16(23)13-6-3-7-25-13/h2-8H,9-10H2,1H3,(H,18,23)(H,19,22)
InChIKeyXVWNCGLMSFBYDU-UHFFFAOYSA-N
XLogP2.33
TPSA119.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[5-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
CID 2461510
N-(2-Ethoxy-phenyl)-2-(5-furan-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 565713
N-{[5-({[(4-Chlorophenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-YL]methyl}furan-2-carboxamide
CID 4083856
2-{5-[(4-Fluoro-phenylamino)-methyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-1-[4-(furan-2-carbonyl)-piperazin-1-yl]-ethanone
CID 653683
N-{[5-({2-[(2,5-dimethoxyphenyl)amino]-2-oxoethyl}thio)-1,3,4-oxadiazol-2-yl]methyl}-2-furamide
CID 3239607
N-[(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thio}-1,3,4-oxadiazol-2-yl)methyl]-2-furamide
CID 3243591
N-{[5-({[(2,5-Dimethoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-YL]methyl}thiophene-2-carboxamide
CID 3519283
N-{[5-({[(3-Chlorophenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-YL]methyl}furan-2-carboxamide
CID 3527826
N-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]thio}-1,3,4-oxadiazol-2-yl)methyl]-2-furamide
CID 3597469
N-{[5-({[(4-Ethoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-YL]methyl}thiophene-2-carboxamide
CID 3633236
N-[(5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]thio}-1,3,4-oxadiazol-2-yl)methyl]-2-furamide
CID 4074362
N-{[5-({[(3-Fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-YL]methyl}furan-2-carboxamide
CID 4074952

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[5-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide (CID 3237395) is N-[[5-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[5-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[5-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide is COc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)o2)c1.
What is the InChIKey of N-[[5-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide?
The InChIKey is XVWNCGLMSFBYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5S/c1-24-12-5-2-4-11(8-12)19-14(22)10-27-17-21-20-15(26-17)9-18-16(23)13-6-3-7-25-13/h2-8H,9-10H2,1H3,(H,18,23)(H,19,22).
What are the key properties of N-[[5-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide?
N-[[5-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide has a molecular weight of 388.41 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 3237395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).