(2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide

C25H34N2O4S — CID 125085283

About (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide

(2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide (PubChem CID 125085283) has the molecular formula C25H34N2O4S and a molecular weight of 458.62 g/mol. Its IUPAC name is (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
• PubChem CID: 125085283
• Molecular Formula: C25H34N2O4S
• Molecular Weight: 458.62 g/mol
• Exact Mass: 458.22
• IUPAC Name: (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
• SMILES: CC[C@H](NC(=O)[C@H](C)N(c1cc(C)ccc1OC)S(C)(=O)=O)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C25H34N2O4S/c1-6-22(21-13-12-19-9-7-8-10-20(19)16-21)26-25(28)18(3)27(32(5,29)30)23-15-17(2)11-14-24(23)31-4/h11-16,18,22H,6-10H2,1-5H3,(H,26,28)/t18-,22-/m0/s1
• InChIKey: RZGSUAPQDAFOCA-AVRDEDQJSA-N
• XLogP: 4.30
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.62
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide?

The IUPAC name of (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide (CID 125085283) is (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide.

What is the SMILES notation for (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide?

The canonical SMILES for (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide is CC[C@H](NC(=O)[C@H](C)N(c1cc(C)ccc1OC)S(C)(=O)=O)c1ccc2c(c1)CCCC2.

What is the InChIKey of (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide?

The InChIKey is RZGSUAPQDAFOCA-AVRDEDQJSA-N. The full InChI is InChI=1S/C25H34N2O4S/c1-6-22(21-13-12-19-9-7-8-10-20(19)16-21)26-25(28)18(3)27(32(5,29)30)23-15-17(2)11-14-24(23)31-4/h11-16,18,22H,6-10H2,1-5H3,(H,26,28)/t18-,22-/m0/s1.

What are the key properties of (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide?

(2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide has a molecular weight of 458.62 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide is sourced from PubChem (CID 125085283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).