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

C17H16N4O5S — CID 3238326

IUPACN-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
SMILESCOc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccco2)o1
InChIInChI=1S/C17H16N4O5S/c1-24-12-6-3-2-5-11(12)19-14(22)10-27-17-21-20-15(26-17)9-18-16(23)13-7-4-8-25-13/h2-8H,9-10H2,1H3,(H,18,23)(H,19,22)
InChIKeyKQWCPUUKOWZAQN-UHFFFAOYSA-N
MW388.41 g/mol
LogP2.33
Rot. Bonds8

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

N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide (PubChem CID 3238326) has the molecular formula C17H16N4O5S and a molecular weight of 388.41 g/mol. Its IUPAC name is N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
PubChem CID3238326
Molecular FormulaC17H16N4O5S
Molecular Weight388.41 g/mol
Exact Mass388.08
IUPAC NameN-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
SMILESCOc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccco2)o1
InChIInChI=1S/C17H16N4O5S/c1-24-12-6-3-2-5-11(12)19-14(22)10-27-17-21-20-15(26-17)9-18-16(23)13-7-4-8-25-13/h2-8H,9-10H2,1H3,(H,18,23)(H,19,22)
InChIKeyKQWCPUUKOWZAQN-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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide (CID 3238326) is N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide is COc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccco2)o1.
What is the InChIKey of N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide?
The InChIKey is KQWCPUUKOWZAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5S/c1-24-12-6-3-2-5-11(12)19-14(22)10-27-17-21-20-15(26-17)9-18-16(23)13-7-4-8-25-13/h2-8H,9-10H2,1H3,(H,18,23)(H,19,22).
What are the key properties of N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide?
N-[[5-[2-(2-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-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 3238326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).