5-[2-(methanesulfonamido)ethyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

C21H23N3O3S3 — CID 27286362

About 5-[2-(methanesulfonamido)ethyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

5-[2-(methanesulfonamido)ethyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 27286362) has the molecular formula C21H23N3O3S3 and a molecular weight of 461.63 g/mol. Its IUPAC name is 5-[2-(methanesulfonamido)ethyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(methanesulfonamido)ethyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
• PubChem CID: 27286362
• Molecular Formula: C21H23N3O3S3
• Molecular Weight: 461.63 g/mol
• Exact Mass: 461.09
• IUPAC Name: 5-[2-(methanesulfonamido)ethyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
• SMILES: CS(=O)(=O)NCCc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)s1
• InChI: InChI=1S/C21H23N3O3S3/c1-30(26,27)22-11-10-17-8-9-19(29-17)20(25)24-21-23-18(13-28-21)16-7-6-14-4-2-3-5-15(14)12-16/h6-9,12-13,22H,2-5,10-11H2,1H3,(H,23,24,25)
• InChIKey: IGIXTDGMXOGJMZ-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 88.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.63
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methanesulfonamido)ethyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The IUPAC name of 5-[2-(methanesulfonamido)ethyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 27286362) is 5-[2-(methanesulfonamido)ethyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for 5-[2-(methanesulfonamido)ethyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The canonical SMILES for 5-[2-(methanesulfonamido)ethyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is CS(=O)(=O)NCCc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)s1.

What is the InChIKey of 5-[2-(methanesulfonamido)ethyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The InChIKey is IGIXTDGMXOGJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S3/c1-30(26,27)22-11-10-17-8-9-19(29-17)20(25)24-21-23-18(13-28-21)16-7-6-14-4-2-3-5-15(14)12-16/h6-9,12-13,22H,2-5,10-11H2,1H3,(H,23,24,25).

What are the key properties of 5-[2-(methanesulfonamido)ethyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?

5-[2-(methanesulfonamido)ethyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 461.63 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(methanesulfonamido)ethyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 27286362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).