(2S)-2-amino-N-[(3R)-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide

C26H26Cl2N4O4S — CID 147703963

About (2S)-2-amino-N-[(3R)-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide

(2S)-2-amino-N-[(3R)-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide (PubChem CID 147703963) has the molecular formula C26H26Cl2N4O4S and a molecular weight of 561.49 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3R)-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-amino-N-[(3R)-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide
• PubChem CID: 147703963
• Molecular Formula: C26H26Cl2N4O4S
• Molecular Weight: 561.49 g/mol
• Exact Mass: 560.11
• IUPAC Name: (2S)-2-amino-N-[(3R)-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide
• SMILES: Cc1cccc(S(=O)(=O)N2C[C@H](NC(=O)[C@H](C)N)Cc3ncc(CC(=O)c4c(Cl)cccc4Cl)cc32)c1
• InChI: InChI=1S/C26H26Cl2N4O4S/c1-15-5-3-6-19(9-15)37(35,36)32-14-18(31-26(34)16(2)29)12-22-23(32)10-17(13-30-22)11-24(33)25-20(27)7-4-8-21(25)28/h3-10,13,16,18H,11-12,14,29H2,1-2H3,(H,31,34)/t16-,18+/m0/s1
• InChIKey: GTKGENNDWWJCGC-FUHWJXTLSA-N
• XLogP: 3.71
• TPSA: 122.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.49
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3R)-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide?

The IUPAC name of (2S)-2-amino-N-[(3R)-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide (CID 147703963) is (2S)-2-amino-N-[(3R)-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide.

What is the SMILES notation for (2S)-2-amino-N-[(3R)-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide?

The canonical SMILES for (2S)-2-amino-N-[(3R)-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide is Cc1cccc(S(=O)(=O)N2C[C@H](NC(=O)[C@H](C)N)Cc3ncc(CC(=O)c4c(Cl)cccc4Cl)cc32)c1.

What is the InChIKey of (2S)-2-amino-N-[(3R)-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide?

The InChIKey is GTKGENNDWWJCGC-FUHWJXTLSA-N. The full InChI is InChI=1S/C26H26Cl2N4O4S/c1-15-5-3-6-19(9-15)37(35,36)32-14-18(31-26(34)16(2)29)12-22-23(32)10-17(13-30-22)11-24(33)25-20(27)7-4-8-21(25)28/h3-10,13,16,18H,11-12,14,29H2,1-2H3,(H,31,34)/t16-,18+/m0/s1.

What are the key properties of (2S)-2-amino-N-[(3R)-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide?

(2S)-2-amino-N-[(3R)-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide has a molecular weight of 561.49 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-N-[(3R)-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide is sourced from PubChem (CID 147703963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).