2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C26H27ClN2O4S — CID 43893050

About 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 43893050) has the molecular formula C26H27ClN2O4S and a molecular weight of 499.03 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

• Compound Name: 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
• PubChem CID: 43893050
• Molecular Formula: C26H27ClN2O4S
• Molecular Weight: 499.03 g/mol
• Exact Mass: 498.14
• IUPAC Name: 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
• SMILES: COc1ccc2c(c1)CCCC2NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1
• InChI: InChI=1S/C26H27ClN2O4S/c1-18-23(27)11-7-13-25(18)29(34(31,32)21-9-4-3-5-10-21)17-26(30)28-24-12-6-8-19-16-20(33-2)14-15-22(19)24/h3-5,7,9-11,13-16,24H,6,8,12,17H2,1-2H3,(H,28,30)
• InChIKey: GZSDLRQZUSAEFA-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.03
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?

The IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 43893050) is 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?

The canonical SMILES for 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is COc1ccc2c(c1)CCCC2NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1.

What is the InChIKey of 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?

The InChIKey is GZSDLRQZUSAEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O4S/c1-18-23(27)11-7-13-25(18)29(34(31,32)21-9-4-3-5-10-21)17-26(30)28-24-12-6-8-19-16-20(33-2)14-15-22(19)24/h3-5,7,9-11,13-16,24H,6,8,12,17H2,1-2H3,(H,28,30).

What are the key properties of 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?

2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 499.03 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 43893050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).