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

C18H22N4O4S — CID 3597527

IUPACN-[[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2nnc(SCC(=O)NC3CCCC3)o2)cc1
InChIInChI=1S/C18H22N4O4S/c1-25-14-8-6-12(7-9-14)17(24)19-10-16-21-22-18(26-16)27-11-15(23)20-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,19,24)(H,20,23)
InChIKeyVOBOXNHVJDJZRT-UHFFFAOYSA-N
MW390.47 g/mol
LogP2.16
Rot. Bonds8

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

N-[[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide (PubChem CID 3597527) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide
PubChem CID3597527
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC NameN-[[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2nnc(SCC(=O)NC3CCCC3)o2)cc1
InChIInChI=1S/C18H22N4O4S/c1-25-14-8-6-12(7-9-14)17(24)19-10-16-21-22-18(26-16)27-11-15(23)20-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,19,24)(H,20,23)
InChIKeyVOBOXNHVJDJZRT-UHFFFAOYSA-N
XLogP2.16
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 52.16
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]-4-methoxybenzamide?
The IUPAC name of N-[[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide (CID 3597527) is N-[[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide?
The canonical SMILES for N-[[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2nnc(SCC(=O)NC3CCCC3)o2)cc1.
What is the InChIKey of N-[[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide?
The InChIKey is VOBOXNHVJDJZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-25-14-8-6-12(7-9-14)17(24)19-10-16-21-22-18(26-16)27-11-15(23)20-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,19,24)(H,20,23).
What are the key properties of N-[[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide?
N-[[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-4-methoxybenzamide has a molecular weight of 390.47 g/mol, XLogP of 2.16, 8 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]-4-methoxybenzamide is sourced from PubChem (CID 3597527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).