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

C25H23Cl3N4O4S — CID 146844067

IUPAC(2R)-2-amino-N-[(3R)-1-(3-chlorophenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide
SMILESC[C@@H](N)C(=O)N[C@@H]1Cc2ncc(CC(=O)c3c(Cl)cccc3Cl)cc2N(S(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C25H23Cl3N4O4S/c1-14(29)25(34)31-17-11-21-22(32(13-17)37(35,36)18-5-2-4-16(26)10-18)8-15(12-30-21)9-23(33)24-19(27)6-3-7-20(24)28/h2-8,10,12,14,17H,9,11,13,29H2,1H3,(H,31,34)/t14-,17-/m1/s1
InChIKeySGSIFEMTVGDBKL-RHSMWYFYSA-N
MW581.91 g/mol
LogP4.05
Rot. Bonds7

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

(2R)-2-amino-N-[(3R)-1-(3-chlorophenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide (PubChem CID 146844067) has the molecular formula C25H23Cl3N4O4S and a molecular weight of 581.91 g/mol. Its IUPAC name is (2R)-2-amino-N-[(3R)-1-(3-chlorophenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(3R)-1-(3-chlorophenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide
PubChem CID146844067
Molecular FormulaC25H23Cl3N4O4S
Molecular Weight581.91 g/mol
Exact Mass580.05
IUPAC Name(2R)-2-amino-N-[(3R)-1-(3-chlorophenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide
SMILESC[C@@H](N)C(=O)N[C@@H]1Cc2ncc(CC(=O)c3c(Cl)cccc3Cl)cc2N(S(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C25H23Cl3N4O4S/c1-14(29)25(34)31-17-11-21-22(32(13-17)37(35,36)18-5-2-4-16(26)10-18)8-15(12-30-21)9-23(33)24-19(27)6-3-7-20(24)28/h2-8,10,12,14,17H,9,11,13,29H2,1H3,(H,31,34)/t14-,17-/m1/s1
InChIKeySGSIFEMTVGDBKL-RHSMWYFYSA-N
XLogP4.05
TPSA122.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.91
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

(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
N-[7-(2-aminopropanoylamino)-5-(3-chlorophenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-2,6-dichlorobenzamide
CID 123268028
propan-2-yl N-[(3R)-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]carbamate
CID 157114008
N-[1-(3-cyclopropylphenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]acetamide
CID 161476933
N-[6-(2-aminopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide
CID 123495473
1-[(3R)-7-[2-(2-chloro-6-fluorophenyl)-2-oxoethyl]-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridin-3-yl]pyrrolidin-2-one
CID 147242536
N-[6-(2-acetamidopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide
CID 123472446
N-[3-acetamido-1-(3-chlorophenyl)sulfonyl-3,4-dihydro-2H-pyrido[2,3-b][1,4]oxazepin-8-yl]-2,6-dichlorobenzamide
CID 123864914
N-[7-amino-5-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-2,6-dichlorobenzamide
CID 123502628
(2S)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopentylpropanamide
CID 8512767
2,6-dichloro-N-[(3S)-1-(3-chlorophenyl)sulfonyl-3-[(dimethylcarbamoylamino)methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]benzamide
CID 118033503
1-(2,6-dichlorophenyl)-2-[(3R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-(hydroxymethyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]ethanone
CID 157266037

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(3R)-1-(3-chlorophenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide?
The IUPAC name of (2R)-2-amino-N-[(3R)-1-(3-chlorophenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide (CID 146844067) is (2R)-2-amino-N-[(3R)-1-(3-chlorophenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[(3R)-1-(3-chlorophenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[(3R)-1-(3-chlorophenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide is C[C@@H](N)C(=O)N[C@@H]1Cc2ncc(CC(=O)c3c(Cl)cccc3Cl)cc2N(S(=O)(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of (2R)-2-amino-N-[(3R)-1-(3-chlorophenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide?
The InChIKey is SGSIFEMTVGDBKL-RHSMWYFYSA-N. The full InChI is InChI=1S/C25H23Cl3N4O4S/c1-14(29)25(34)31-17-11-21-22(32(13-17)37(35,36)18-5-2-4-16(26)10-18)8-15(12-30-21)9-23(33)24-19(27)6-3-7-20(24)28/h2-8,10,12,14,17H,9,11,13,29H2,1H3,(H,31,34)/t14-,17-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(3R)-1-(3-chlorophenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide?
(2R)-2-amino-N-[(3R)-1-(3-chlorophenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide has a molecular weight of 581.91 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(3R)-1-(3-chlorophenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]propanamide is sourced from PubChem (CID 146844067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).