2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide

C29H34N2O4S — CID 125084422

About 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide

2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide (PubChem CID 125084422) has the molecular formula C29H34N2O4S and a molecular weight of 506.67 g/mol. Its IUPAC name is 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide.

Molecular Properties

• Compound Name: 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
• PubChem CID: 125084422
• Molecular Formula: C29H34N2O4S
• Molecular Weight: 506.67 g/mol
• Exact Mass: 506.22
• IUPAC Name: 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
• SMILES: CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](CC)c2ccc3c(c2)CCCC3)c2ccccc2)cc1
• InChI: InChI=1S/C29H34N2O4S/c1-3-28(24-15-14-22-10-8-9-11-23(22)20-24)30-29(32)21-31(25-12-6-5-7-13-25)36(33,34)27-18-16-26(17-19-27)35-4-2/h5-7,12-20,28H,3-4,8-11,21H2,1-2H3,(H,30,32)/t28-/m1/s1
• InChIKey: PUVHWQMSERQSBQ-MUUNZHRXSA-N
• XLogP: 5.43
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.67
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide (CID 125084422) is 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide.

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

The canonical SMILES for 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](CC)c2ccc3c(c2)CCCC3)c2ccccc2)cc1.

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

The InChIKey is PUVHWQMSERQSBQ-MUUNZHRXSA-N. The full InChI is InChI=1S/C29H34N2O4S/c1-3-28(24-15-14-22-10-8-9-11-23(22)20-24)30-29(32)21-31(25-12-6-5-7-13-25)36(33,34)27-18-16-26(17-19-27)35-4-2/h5-7,12-20,28H,3-4,8-11,21H2,1-2H3,(H,30,32)/t28-/m1/s1.

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

2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide has a molecular weight of 506.67 g/mol, XLogP of 5.43, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide is sourced from PubChem (CID 125084422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).