N-methyl-2-(1-methylindol-3-yl)sulfanyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide

C18H22N4O2S — CID 70752631

IUPACN-methyl-2-(1-methylindol-3-yl)sulfanyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCC(C)c1nc(CN(C)C(=O)CSc2cn(C)c3ccccc23)no1
InChIInChI=1S/C18H22N4O2S/c1-12(2)18-19-16(20-24-18)10-22(4)17(23)11-25-15-9-21(3)14-8-6-5-7-13(14)15/h5-9,12H,10-11H2,1-4H3
InChIKeyRWRPNHKNVAOZOA-UHFFFAOYSA-N
MW358.47 g/mol
LogP3.44
Rot. Bonds6

About N-methyl-2-(1-methylindol-3-yl)sulfanyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide

N-methyl-2-(1-methylindol-3-yl)sulfanyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide (PubChem CID 70752631) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-methyl-2-(1-methylindol-3-yl)sulfanyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(1-methylindol-3-yl)sulfanyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
PubChem CID70752631
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-methyl-2-(1-methylindol-3-yl)sulfanyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCC(C)c1nc(CN(C)C(=O)CSc2cn(C)c3ccccc23)no1
InChIInChI=1S/C18H22N4O2S/c1-12(2)18-19-16(20-24-18)10-22(4)17(23)11-25-15-9-21(3)14-8-6-5-7-13(14)15/h5-9,12H,10-11H2,1-4H3
InChIKeyRWRPNHKNVAOZOA-UHFFFAOYSA-N
XLogP3.44
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylindol-3-yl)sulfanyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-(1-methylindol-3-yl)sulfanyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide (CID 70752631) is N-methyl-2-(1-methylindol-3-yl)sulfanyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(1-methylindol-3-yl)sulfanyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(1-methylindol-3-yl)sulfanyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide is CC(C)c1nc(CN(C)C(=O)CSc2cn(C)c3ccccc23)no1.
What is the InChIKey of N-methyl-2-(1-methylindol-3-yl)sulfanyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The InChIKey is RWRPNHKNVAOZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-12(2)18-19-16(20-24-18)10-22(4)17(23)11-25-15-9-21(3)14-8-6-5-7-13(14)15/h5-9,12H,10-11H2,1-4H3.
What are the key properties of N-methyl-2-(1-methylindol-3-yl)sulfanyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
N-methyl-2-(1-methylindol-3-yl)sulfanyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide has a molecular weight of 358.47 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylindol-3-yl)sulfanyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide is sourced from PubChem (CID 70752631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).