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

C18H23N3O2S — CID 121281580

IUPACN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclohexanecarboxamide
SMILESCc1noc(-c2c(NC(=O)C3CCCCC3)sc3c2CCCC3)n1
InChIInChI=1S/C18H23N3O2S/c1-11-19-17(23-21-11)15-13-9-5-6-10-14(13)24-18(15)20-16(22)12-7-3-2-4-8-12/h12H,2-10H2,1H3,(H,20,22)
InChIKeyBADREBFEQQSNRD-UHFFFAOYSA-N
MW345.47 g/mol
LogP4.50
Rot. Bonds3

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

N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclohexanecarboxamide (PubChem CID 121281580) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclohexanecarboxamide
PubChem CID121281580
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclohexanecarboxamide
SMILESCc1noc(-c2c(NC(=O)C3CCCCC3)sc3c2CCCC3)n1
InChIInChI=1S/C18H23N3O2S/c1-11-19-17(23-21-11)15-13-9-5-6-10-14(13)24-18(15)20-16(22)12-7-3-2-4-8-12/h12H,2-10H2,1H3,(H,20,22)
InChIKeyBADREBFEQQSNRD-UHFFFAOYSA-N
XLogP4.50
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclohexanecarboxamide (CID 121281580) is N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclohexanecarboxamide is Cc1noc(-c2c(NC(=O)C3CCCCC3)sc3c2CCCC3)n1.
What is the InChIKey of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclohexanecarboxamide?
The InChIKey is BADREBFEQQSNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-11-19-17(23-21-11)15-13-9-5-6-10-14(13)24-18(15)20-16(22)12-7-3-2-4-8-12/h12H,2-10H2,1H3,(H,20,22).
What are the key properties of N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclohexanecarboxamide?
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclohexanecarboxamide has a molecular weight of 345.47 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 121281580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).