N-cyclopropyl-2-[[5-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

C17H21N3O2S2 — CID 17436506

IUPACN-cyclopropyl-2-[[5-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCC1CCc2sc(-c3nnc(SC(C)C(=O)NC4CC4)o3)cc2C1
InChIInChI=1S/C17H21N3O2S2/c1-9-3-6-13-11(7-9)8-14(24-13)16-19-20-17(22-16)23-10(2)15(21)18-12-4-5-12/h8-10,12H,3-7H2,1-2H3,(H,18,21)
InChIKeyQCMOLJDDHXOHBO-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.68
Rot. Bonds5

About N-cyclopropyl-2-[[5-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

N-cyclopropyl-2-[[5-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 17436506) has the molecular formula C17H21N3O2S2 and a molecular weight of 363.51 g/mol. Its IUPAC name is N-cyclopropyl-2-[[5-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[5-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
PubChem CID17436506
Molecular FormulaC17H21N3O2S2
Molecular Weight363.51 g/mol
Exact Mass363.11
IUPAC NameN-cyclopropyl-2-[[5-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCC1CCc2sc(-c3nnc(SC(C)C(=O)NC4CC4)o3)cc2C1
InChIInChI=1S/C17H21N3O2S2/c1-9-3-6-13-11(7-9)8-14(24-13)16-19-20-17(22-16)23-10(2)15(21)18-12-4-5-12/h8-10,12H,3-7H2,1-2H3,(H,18,21)
InChIKeyQCMOLJDDHXOHBO-UHFFFAOYSA-N
XLogP3.68
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[5-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N-cyclopropyl-2-[[5-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 17436506) is N-cyclopropyl-2-[[5-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[[5-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[[5-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is CC1CCc2sc(-c3nnc(SC(C)C(=O)NC4CC4)o3)cc2C1.
What is the InChIKey of N-cyclopropyl-2-[[5-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is QCMOLJDDHXOHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S2/c1-9-3-6-13-11(7-9)8-14(24-13)16-19-20-17(22-16)23-10(2)15(21)18-12-4-5-12/h8-10,12H,3-7H2,1-2H3,(H,18,21).
What are the key properties of N-cyclopropyl-2-[[5-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
N-cyclopropyl-2-[[5-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 363.51 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[5-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 17436506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).