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

C16H13ClN4O4S — CID 4083856

IUPACN-[[5-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
SMILESO=C(CSc1nnc(CNC(=O)c2ccco2)o1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN4O4S/c17-10-3-5-11(6-4-10)19-13(22)9-26-16-21-20-14(25-16)8-18-15(23)12-2-1-7-24-12/h1-7H,8-9H2,(H,18,23)(H,19,22)
InChIKeyRIVWHRYEKKLLOU-UHFFFAOYSA-N
MW392.82 g/mol
LogP2.98
Rot. Bonds7

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

N-[[5-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide (PubChem CID 4083856) has the molecular formula C16H13ClN4O4S and a molecular weight of 392.82 g/mol. Its IUPAC name is N-[[5-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[5-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
PubChem CID4083856
Molecular FormulaC16H13ClN4O4S
Molecular Weight392.82 g/mol
Exact Mass392.03
IUPAC NameN-[[5-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
SMILESO=C(CSc1nnc(CNC(=O)c2ccco2)o1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN4O4S/c17-10-3-5-11(6-4-10)19-13(22)9-26-16-21-20-14(25-16)8-18-15(23)12-2-1-7-24-12/h1-7H,8-9H2,(H,18,23)(H,19,22)
InChIKeyRIVWHRYEKKLLOU-UHFFFAOYSA-N
XLogP2.98
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.82
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[5-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide (CID 4083856) is N-[[5-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[5-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[5-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide is O=C(CSc1nnc(CNC(=O)c2ccco2)o1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[[5-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide?
The InChIKey is RIVWHRYEKKLLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O4S/c17-10-3-5-11(6-4-10)19-13(22)9-26-16-21-20-14(25-16)8-18-15(23)12-2-1-7-24-12/h1-7H,8-9H2,(H,18,23)(H,19,22).
What are the key properties of N-[[5-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide?
N-[[5-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide has a molecular weight of 392.82 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 4083856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).