N-[6-(2-acetamidopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide

C26H24Cl3N5O5S — CID 123472446

IUPACN-[6-(2-acetamidopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide
SMILESCC(=O)NC(C)C(=O)NC1Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)nc2N(S(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C26H24Cl3N5O5S/c1-14(30-15(2)35)25(36)31-18-11-16-9-10-22(33-26(37)23-20(28)7-4-8-21(23)29)32-24(16)34(13-18)40(38,39)19-6-3-5-17(27)12-19/h3-10,12,14,18H,11,13H2,1-2H3,(H,30,35)(H,31,36)(H,32,33,37)
InChIKeyFIEWXPDYJZBEIG-UHFFFAOYSA-N
MW624.93 g/mol
LogP4.05
Rot. Bonds7

About N-[6-(2-acetamidopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide

N-[6-(2-acetamidopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide (PubChem CID 123472446) has the molecular formula C26H24Cl3N5O5S and a molecular weight of 624.93 g/mol. Its IUPAC name is N-[6-(2-acetamidopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-[6-(2-acetamidopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide
PubChem CID123472446
Molecular FormulaC26H24Cl3N5O5S
Molecular Weight624.93 g/mol
Exact Mass623.06
IUPAC NameN-[6-(2-acetamidopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide
SMILESCC(=O)NC(C)C(=O)NC1Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)nc2N(S(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C26H24Cl3N5O5S/c1-14(30-15(2)35)25(36)31-18-11-16-9-10-22(33-26(37)23-20(28)7-4-8-21(23)29)32-24(16)34(13-18)40(38,39)19-6-3-5-17(27)12-19/h3-10,12,14,18H,11,13H2,1-2H3,(H,30,35)(H,31,36)(H,32,33,37)
InChIKeyFIEWXPDYJZBEIG-UHFFFAOYSA-N
XLogP4.05
TPSA137.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500624.93
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(2-aminopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide
CID 123495473
2-[1-(3-chlorophenyl)sulfonyl-7-[(2,6-dichlorobenzoyl)amino]-3,4-dihydro-2H-1,8-naphthyridin-3-yl]-2-hydroxyacetic acid
CID 123996266
2,6-dichloro-N-[(2S)-4-(3-chlorophenyl)sulfonyl-2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide
CID 144913071
2,6-dichloro-N-[(2S)-4-(3-chlorophenyl)sulfonyl-2-[(dimethylamino)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide
CID 118070862
N-[2-[[acetyl(methyl)amino]methyl]-4-(3-chlorophenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2,6-dichlorobenzamide
CID 123638259
N-[7-(2-aminopropanoylamino)-5-(3-chlorophenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-2,6-dichlorobenzamide
CID 123268028
N-[(2R)-4-(3-chlorophenyl)sulfonyl-2-(hydroxymethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]-2-methylpropanamide
CID 118070851
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
(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
2,6-dichloro-N-[4-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide
CID 144913092
(2S)-N-(4-chlorophenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 97066635
(2R)-N-(4-chlorophenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 97066636

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-acetamidopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide?
The IUPAC name of N-[6-(2-acetamidopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide (CID 123472446) is N-[6-(2-acetamidopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide.
What is the SMILES notation for N-[6-(2-acetamidopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide?
The canonical SMILES for N-[6-(2-acetamidopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide is CC(=O)NC(C)C(=O)NC1Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)nc2N(S(=O)(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of N-[6-(2-acetamidopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide?
The InChIKey is FIEWXPDYJZBEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl3N5O5S/c1-14(30-15(2)35)25(36)31-18-11-16-9-10-22(33-26(37)23-20(28)7-4-8-21(23)29)32-24(16)34(13-18)40(38,39)19-6-3-5-17(27)12-19/h3-10,12,14,18H,11,13H2,1-2H3,(H,30,35)(H,31,36)(H,32,33,37).
What are the key properties of N-[6-(2-acetamidopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide?
N-[6-(2-acetamidopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide has a molecular weight of 624.93 g/mol, XLogP of 4.05, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-acetamidopropanoylamino)-8-(3-chlorophenyl)sulfonyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl]-2,6-dichlorobenzamide is sourced from PubChem (CID 123472446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).