N-[4-[[5-[2-(diethylamino)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methylsulfonyl]phenyl]acetamide

C17H24N4O4S2 — CID 164608763

IUPACN-[4-[[5-[2-(diethylamino)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methylsulfonyl]phenyl]acetamide
SMILESCCN(CC)CCSc1nnc(CS(=O)(=O)c2ccc(NC(C)=O)cc2)o1
InChIInChI=1S/C17H24N4O4S2/c1-4-21(5-2)10-11-26-17-20-19-16(25-17)12-27(23,24)15-8-6-14(7-9-15)18-13(3)22/h6-9H,4-5,10-12H2,1-3H3,(H,18,22)
InChIKeyKKGVEEGANPMHJK-UHFFFAOYSA-N
MW412.54 g/mol
LogP2.44
Rot. Bonds10

About N-[4-[[5-[2-(diethylamino)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methylsulfonyl]phenyl]acetamide

N-[4-[[5-[2-(diethylamino)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methylsulfonyl]phenyl]acetamide (PubChem CID 164608763) has the molecular formula C17H24N4O4S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-[4-[[5-[2-(diethylamino)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methylsulfonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-[2-(diethylamino)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methylsulfonyl]phenyl]acetamide
PubChem CID164608763
Molecular FormulaC17H24N4O4S2
Molecular Weight412.54 g/mol
Exact Mass412.12
IUPAC NameN-[4-[[5-[2-(diethylamino)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methylsulfonyl]phenyl]acetamide
SMILESCCN(CC)CCSc1nnc(CS(=O)(=O)c2ccc(NC(C)=O)cc2)o1
InChIInChI=1S/C17H24N4O4S2/c1-4-21(5-2)10-11-26-17-20-19-16(25-17)12-27(23,24)15-8-6-14(7-9-15)18-13(3)22/h6-9H,4-5,10-12H2,1-3H3,(H,18,22)
InChIKeyKKGVEEGANPMHJK-UHFFFAOYSA-N
XLogP2.44
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-[2-(diethylamino)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methylsulfonyl]phenyl]acetamide?
The IUPAC name of N-[4-[[5-[2-(diethylamino)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methylsulfonyl]phenyl]acetamide (CID 164608763) is N-[4-[[5-[2-(diethylamino)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methylsulfonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-[2-(diethylamino)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methylsulfonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-[2-(diethylamino)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methylsulfonyl]phenyl]acetamide is CCN(CC)CCSc1nnc(CS(=O)(=O)c2ccc(NC(C)=O)cc2)o1.
What is the InChIKey of N-[4-[[5-[2-(diethylamino)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methylsulfonyl]phenyl]acetamide?
The InChIKey is KKGVEEGANPMHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S2/c1-4-21(5-2)10-11-26-17-20-19-16(25-17)12-27(23,24)15-8-6-14(7-9-15)18-13(3)22/h6-9H,4-5,10-12H2,1-3H3,(H,18,22).
What are the key properties of N-[4-[[5-[2-(diethylamino)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methylsulfonyl]phenyl]acetamide?
N-[4-[[5-[2-(diethylamino)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methylsulfonyl]phenyl]acetamide has a molecular weight of 412.54 g/mol, XLogP of 2.44, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-[2-(diethylamino)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methylsulfonyl]phenyl]acetamide is sourced from PubChem (CID 164608763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).