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

C15H18N4O4S — CID 3242346

IUPACN-[[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
SMILESO=C(CSc1nnc(CNC(=O)c2ccco2)o1)NC1CCCC1
InChIInChI=1S/C15H18N4O4S/c20-12(17-10-4-1-2-5-10)9-24-15-19-18-13(23-15)8-16-14(21)11-6-3-7-22-11/h3,6-7,10H,1-2,4-5,8-9H2,(H,16,21)(H,17,20)
InChIKeyMLPWSVWOSKDGBG-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.74
Rot. Bonds7

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

N-[[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide (PubChem CID 3242346) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
PubChem CID3242346
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC NameN-[[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
SMILESO=C(CSc1nnc(CNC(=O)c2ccco2)o1)NC1CCCC1
InChIInChI=1S/C15H18N4O4S/c20-12(17-10-4-1-2-5-10)9-24-15-19-18-13(23-15)8-16-14(21)11-6-3-7-22-11/h3,6-7,10H,1-2,4-5,8-9H2,(H,16,21)(H,17,20)
InChIKeyMLPWSVWOSKDGBG-UHFFFAOYSA-N
XLogP1.74
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide (CID 3242346) is N-[[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide is O=C(CSc1nnc(CNC(=O)c2ccco2)o1)NC1CCCC1.
What is the InChIKey of N-[[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide?
The InChIKey is MLPWSVWOSKDGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c20-12(17-10-4-1-2-5-10)9-24-15-19-18-13(23-15)8-16-14(21)11-6-3-7-22-11/h3,6-7,10H,1-2,4-5,8-9H2,(H,16,21)(H,17,20).
What are the key properties of N-[[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide?
N-[[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 3242346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).