2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide

C22H29ClN2O4S — CID 133217368

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide (PubChem CID 133217368) has the molecular formula C22H29ClN2O4S and a molecular weight of 453.00 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
• PubChem CID: 133217368
• Molecular Formula: C22H29ClN2O4S
• Molecular Weight: 453.00 g/mol
• Exact Mass: 452.15
• IUPAC Name: 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
• SMILES: COc1cc(C)c(C(C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1C(C)C
• InChI: InChI=1S/C22H29ClN2O4S/c1-14(2)19-12-20(15(3)11-21(19)29-6)16(4)24-22(26)13-25(5)30(27,28)18-9-7-17(23)8-10-18/h7-12,14,16H,13H2,1-6H3,(H,24,26)
• InChIKey: ZMHKNMVWYMGWMX-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.00
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide?

The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide (CID 133217368) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide.

What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide?

The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide is COc1cc(C)c(C(C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1C(C)C.

What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide?

The InChIKey is ZMHKNMVWYMGWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O4S/c1-14(2)19-12-20(15(3)11-21(19)29-6)16(4)24-22(26)13-25(5)30(27,28)18-9-7-17(23)8-10-18/h7-12,14,16H,13H2,1-6H3,(H,24,26).

What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide?

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide has a molecular weight of 453.00 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 133217368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).