6-methyl-2-[[2-[[4-propyl-5-(5-propylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C24H31N5O2S3 — CID 19719642

About 6-methyl-2-[[2-[[4-propyl-5-(5-propylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

6-methyl-2-[[2-[[4-propyl-5-(5-propylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 19719642) has the molecular formula C24H31N5O2S3 and a molecular weight of 517.75 g/mol. Its IUPAC name is 6-methyl-2-[[2-[[4-propyl-5-(5-propylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-2-[[2-[[4-propyl-5-(5-propylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
• PubChem CID: 19719642
• Molecular Formula: C24H31N5O2S3
• Molecular Weight: 517.75 g/mol
• Exact Mass: 517.16
• IUPAC Name: 6-methyl-2-[[2-[[4-propyl-5-(5-propylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
• SMILES: CCCc1cc(-c2nnc(SCC(=O)Nc3sc4c(c3C(N)=O)CCC(C)C4)n2CCC)cs1
• InChI: InChI=1S/C24H31N5O2S3/c1-4-6-16-11-15(12-32-16)22-27-28-24(29(22)9-5-2)33-13-19(30)26-23-20(21(25)31)17-8-7-14(3)10-18(17)34-23/h11-12,14H,4-10,13H2,1-3H3,(H2,25,31)(H,26,30)
• InChIKey: YSKUHLWEMPRWIQ-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 102.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.75
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[2-[[4-propyl-5-(5-propylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?

The IUPAC name of 6-methyl-2-[[2-[[4-propyl-5-(5-propylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 19719642) is 6-methyl-2-[[2-[[4-propyl-5-(5-propylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

What is the SMILES notation for 6-methyl-2-[[2-[[4-propyl-5-(5-propylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?

The canonical SMILES for 6-methyl-2-[[2-[[4-propyl-5-(5-propylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CCCc1cc(-c2nnc(SCC(=O)Nc3sc4c(c3C(N)=O)CCC(C)C4)n2CCC)cs1.

What is the InChIKey of 6-methyl-2-[[2-[[4-propyl-5-(5-propylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?

The InChIKey is YSKUHLWEMPRWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2S3/c1-4-6-16-11-15(12-32-16)22-27-28-24(29(22)9-5-2)33-13-19(30)26-23-20(21(25)31)17-8-7-14(3)10-18(17)34-23/h11-12,14H,4-10,13H2,1-3H3,(H2,25,31)(H,26,30).

What are the key properties of 6-methyl-2-[[2-[[4-propyl-5-(5-propylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?

6-methyl-2-[[2-[[4-propyl-5-(5-propylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 517.75 g/mol, XLogP of 5.39, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-2-[[2-[[4-propyl-5-(5-propylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 19719642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).