2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide

C28H31ClN2O3S — CID 133191306

About 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide

2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide (PubChem CID 133191306) has the molecular formula C28H31ClN2O3S and a molecular weight of 511.09 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide.

Molecular Properties

• Compound Name: 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
• PubChem CID: 133191306
• Molecular Formula: C28H31ClN2O3S
• Molecular Weight: 511.09 g/mol
• Exact Mass: 510.17
• IUPAC Name: 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
• SMILES: CCC(NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C28H31ClN2O3S/c1-3-26(23-13-12-21-9-5-6-10-22(21)18-23)30-28(32)19-31(27-11-7-4-8-20(27)2)35(33,34)25-16-14-24(29)15-17-25/h4,7-8,11-18,26H,3,5-6,9-10,19H2,1-2H3,(H,30,32)
• InChIKey: IXBOUOBXGJYYTQ-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.09
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?

The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide (CID 133191306) is 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide.

What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?

The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide is CCC(NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2.

What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?

The InChIKey is IXBOUOBXGJYYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN2O3S/c1-3-26(23-13-12-21-9-5-6-10-22(21)18-23)30-28(32)19-31(27-11-7-4-8-20(27)2)35(33,34)25-16-14-24(29)15-17-25/h4,7-8,11-18,26H,3,5-6,9-10,19H2,1-2H3,(H,30,32).

What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?

2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide has a molecular weight of 511.09 g/mol, XLogP of 5.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide is sourced from PubChem (CID 133191306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).