N-[2-[4,6-dihydrothieno[2,3-c]pyrrol-5-yl(methyl)amino]-2-oxoethyl]-2-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-N-[2-(propan-2-ylamino)ethyl]acetamide

C26H35N7O3S — CID 66881076

About N-[2-[4,6-dihydrothieno[2,3-c]pyrrol-5-yl(methyl)amino]-2-oxoethyl]-2-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-N-[2-(propan-2-ylamino)ethyl]acetamide

N-[2-[4,6-dihydrothieno[2,3-c]pyrrol-5-yl(methyl)amino]-2-oxoethyl]-2-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-N-[2-(propan-2-ylamino)ethyl]acetamide (PubChem CID 66881076) has the molecular formula C26H35N7O3S and a molecular weight of 525.68 g/mol. Its IUPAC name is N-[2-[4,6-dihydrothieno[2,3-c]pyrrol-5-yl(methyl)amino]-2-oxoethyl]-2-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-N-[2-(propan-2-ylamino)ethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[4,6-dihydrothieno[2,3-c]pyrrol-5-yl(methyl)amino]-2-oxoethyl]-2-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-N-[2-(propan-2-ylamino)ethyl]acetamide
• PubChem CID: 66881076
• Molecular Formula: C26H35N7O3S
• Molecular Weight: 525.68 g/mol
• Exact Mass: 525.25
• IUPAC Name: N-[2-[4,6-dihydrothieno[2,3-c]pyrrol-5-yl(methyl)amino]-2-oxoethyl]-2-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-N-[2-(propan-2-ylamino)ethyl]acetamide
• SMILES: Cc1nc(-c2ccc(C)c(NCC(=O)N(CCNC(C)C)CC(=O)N(C)N3Cc4ccsc4C3)c2)no1
• InChI: InChI=1S/C26H35N7O3S/c1-17(2)27-9-10-32(16-25(35)31(5)33-14-21-8-11-37-23(21)15-33)24(34)13-28-22-12-20(7-6-18(22)3)26-29-19(4)36-30-26/h6-8,11-12,17,27-28H,9-10,13-16H2,1-5H3
• InChIKey: UKIGNYAUQMVUMH-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 106.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.68
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-[4,6-dihydrothieno[2,3-c]pyrrol-5-yl(methyl)amino]-2-oxoethyl]-2-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-N-[2-(propan-2-ylamino)ethyl]acetamide?

The IUPAC name of N-[2-[4,6-dihydrothieno[2,3-c]pyrrol-5-yl(methyl)amino]-2-oxoethyl]-2-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-N-[2-(propan-2-ylamino)ethyl]acetamide (CID 66881076) is N-[2-[4,6-dihydrothieno[2,3-c]pyrrol-5-yl(methyl)amino]-2-oxoethyl]-2-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-N-[2-(propan-2-ylamino)ethyl]acetamide.

What is the SMILES notation for N-[2-[4,6-dihydrothieno[2,3-c]pyrrol-5-yl(methyl)amino]-2-oxoethyl]-2-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-N-[2-(propan-2-ylamino)ethyl]acetamide?

The canonical SMILES for N-[2-[4,6-dihydrothieno[2,3-c]pyrrol-5-yl(methyl)amino]-2-oxoethyl]-2-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-N-[2-(propan-2-ylamino)ethyl]acetamide is Cc1nc(-c2ccc(C)c(NCC(=O)N(CCNC(C)C)CC(=O)N(C)N3Cc4ccsc4C3)c2)no1.

What is the InChIKey of N-[2-[4,6-dihydrothieno[2,3-c]pyrrol-5-yl(methyl)amino]-2-oxoethyl]-2-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-N-[2-(propan-2-ylamino)ethyl]acetamide?

The InChIKey is UKIGNYAUQMVUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O3S/c1-17(2)27-9-10-32(16-25(35)31(5)33-14-21-8-11-37-23(21)15-33)24(34)13-28-22-12-20(7-6-18(22)3)26-29-19(4)36-30-26/h6-8,11-12,17,27-28H,9-10,13-16H2,1-5H3.

What are the key properties of N-[2-[4,6-dihydrothieno[2,3-c]pyrrol-5-yl(methyl)amino]-2-oxoethyl]-2-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-N-[2-(propan-2-ylamino)ethyl]acetamide?

N-[2-[4,6-dihydrothieno[2,3-c]pyrrol-5-yl(methyl)amino]-2-oxoethyl]-2-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-N-[2-(propan-2-ylamino)ethyl]acetamide has a molecular weight of 525.68 g/mol, XLogP of 3.04, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4,6-dihydrothieno[2,3-c]pyrrol-5-yl(methyl)amino]-2-oxoethyl]-2-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-N-[2-(propan-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 66881076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).