2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide

C23H29ClN2O4S — CID 133190601

About 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide

2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide (PubChem CID 133190601) has the molecular formula C23H29ClN2O4S and a molecular weight of 465.02 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
• PubChem CID: 133190601
• Molecular Formula: C23H29ClN2O4S
• Molecular Weight: 465.02 g/mol
• Exact Mass: 464.15
• IUPAC Name: 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
• SMILES: COc1ccc(N(C(C)C(=O)NC(C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1Cl
• InChI: InChI=1S/C23H29ClN2O4S/c1-15(18-10-9-17-7-5-6-8-19(17)13-18)25-23(27)16(2)26(31(4,28)29)20-11-12-22(30-3)21(24)14-20/h9-16H,5-8H2,1-4H3,(H,25,27)
• InChIKey: DIWZQHUWPGHUFX-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.02
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide?

The IUPAC name of 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide (CID 133190601) is 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide.

What is the SMILES notation for 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide?

The canonical SMILES for 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide is COc1ccc(N(C(C)C(=O)NC(C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cc1Cl.

What is the InChIKey of 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide?

The InChIKey is DIWZQHUWPGHUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O4S/c1-15(18-10-9-17-7-5-6-8-19(17)13-18)25-23(27)16(2)26(31(4,28)29)20-11-12-22(30-3)21(24)14-20/h9-16H,5-8H2,1-4H3,(H,25,27).

What are the key properties of 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide?

2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide has a molecular weight of 465.02 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide is sourced from PubChem (CID 133190601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).