5-methyl-N-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-2-oxoethyl]thiophene-2-carboxamide

C18H24N4O3S — CID 55980725

About 5-methyl-N-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-2-oxoethyl]thiophene-2-carboxamide

5-methyl-N-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 55980725) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 5-methyl-N-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-2-oxoethyl]thiophene-2-carboxamide
• PubChem CID: 55980725
• Molecular Formula: C18H24N4O3S
• Molecular Weight: 376.48 g/mol
• Exact Mass: 376.16
• IUPAC Name: 5-methyl-N-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-2-oxoethyl]thiophene-2-carboxamide
• SMILES: Cc1nc(C2(NC(=O)CNC(=O)c3ccc(C)s3)CCCCCC2)no1
• InChI: InChI=1S/C18H24N4O3S/c1-12-7-8-14(26-12)16(24)19-11-15(23)21-18(9-5-3-4-6-10-18)17-20-13(2)25-22-17/h7-8H,3-6,9-11H2,1-2H3,(H,19,24)(H,21,23)
• InChIKey: HFBPVFXZOOFPDD-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 97.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.48
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-2-oxoethyl]thiophene-2-carboxamide?

The IUPAC name of 5-methyl-N-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-2-oxoethyl]thiophene-2-carboxamide (CID 55980725) is 5-methyl-N-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-2-oxoethyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-methyl-N-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-2-oxoethyl]thiophene-2-carboxamide?

The canonical SMILES for 5-methyl-N-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-2-oxoethyl]thiophene-2-carboxamide is Cc1nc(C2(NC(=O)CNC(=O)c3ccc(C)s3)CCCCCC2)no1.

What is the InChIKey of 5-methyl-N-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-2-oxoethyl]thiophene-2-carboxamide?

The InChIKey is HFBPVFXZOOFPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-12-7-8-14(26-12)16(24)19-11-15(23)21-18(9-5-3-4-6-10-18)17-20-13(2)25-22-17/h7-8H,3-6,9-11H2,1-2H3,(H,19,24)(H,21,23).

What are the key properties of 5-methyl-N-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-2-oxoethyl]thiophene-2-carboxamide?

5-methyl-N-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 55980725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).