N-[1-(3-cyclopropylphenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]acetamide

C27H25Cl2N3O4S — CID 161476933

IUPACN-[1-(3-cyclopropylphenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]acetamide
SMILESCC(=O)NC1Cc2ncc(CC(=O)c3c(Cl)cccc3Cl)cc2N(S(=O)(=O)c2cccc(C3CC3)c2)C1
InChIInChI=1S/C27H25Cl2N3O4S/c1-16(33)31-20-13-24-25(10-17(14-30-24)11-26(34)27-22(28)6-3-7-23(27)29)32(15-20)37(35,36)21-5-2-4-19(12-21)18-8-9-18/h2-7,10,12,14,18,20H,8-9,11,13,15H2,1H3,(H,31,33)
InChIKeyWDVLQEGTDJVSDI-UHFFFAOYSA-N
MW558.49 g/mol
LogP4.95
Rot. Bonds7

About N-[1-(3-cyclopropylphenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]acetamide

N-[1-(3-cyclopropylphenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]acetamide (PubChem CID 161476933) has the molecular formula C27H25Cl2N3O4S and a molecular weight of 558.49 g/mol. Its IUPAC name is N-[1-(3-cyclopropylphenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3-cyclopropylphenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]acetamide
PubChem CID161476933
Molecular FormulaC27H25Cl2N3O4S
Molecular Weight558.49 g/mol
Exact Mass557.09
IUPAC NameN-[1-(3-cyclopropylphenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]acetamide
SMILESCC(=O)NC1Cc2ncc(CC(=O)c3c(Cl)cccc3Cl)cc2N(S(=O)(=O)c2cccc(C3CC3)c2)C1
InChIInChI=1S/C27H25Cl2N3O4S/c1-16(33)31-20-13-24-25(10-17(14-30-24)11-26(34)27-22(28)6-3-7-23(27)29)32(15-20)37(35,36)21-5-2-4-19(12-21)18-8-9-18/h2-7,10,12,14,18,20H,8-9,11,13,15H2,1H3,(H,31,33)
InChIKeyWDVLQEGTDJVSDI-UHFFFAOYSA-N
XLogP4.95
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.49
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
(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
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
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-[7-(2-aminopropanoylamino)-5-(3-chlorophenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-2,6-dichlorobenzamide
CID 123268028
2,6-dichloro-N-[(3R)-1-(3-cyclopropylphenyl)sulfonyl-3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 118055870
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
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
tert-butyl 2-[(2S)-4-(3-cyclopropylphenyl)sulfonyl-2-(3-oxobutyl)-2,3-dihydro-1,4-benzoxazin-6-yl]acetate
CID 159941470
N-[7-amino-5-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]-2,6-dichlorobenzamide
CID 123502628
2,6-dichloro-N-[4-(3-cyclopropylphenyl)sulfonyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzamide
CID 144913092
2,6-dichloro-N-[5-[3-[[3-[(2,6-dichlorobenzoyl)amino]-7-(ethylamino)-5-(3-methylphenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-1-ium-1-yl]methyl]phenyl]sulfonyl-7-(diethylamino)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]benzamide
CID 123922516

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopropylphenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]acetamide?
The IUPAC name of N-[1-(3-cyclopropylphenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]acetamide (CID 161476933) is N-[1-(3-cyclopropylphenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]acetamide.
What is the SMILES notation for N-[1-(3-cyclopropylphenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]acetamide?
The canonical SMILES for N-[1-(3-cyclopropylphenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]acetamide is CC(=O)NC1Cc2ncc(CC(=O)c3c(Cl)cccc3Cl)cc2N(S(=O)(=O)c2cccc(C3CC3)c2)C1.
What is the InChIKey of N-[1-(3-cyclopropylphenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]acetamide?
The InChIKey is WDVLQEGTDJVSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl2N3O4S/c1-16(33)31-20-13-24-25(10-17(14-30-24)11-26(34)27-22(28)6-3-7-23(27)29)32(15-20)37(35,36)21-5-2-4-19(12-21)18-8-9-18/h2-7,10,12,14,18,20H,8-9,11,13,15H2,1H3,(H,31,33).
What are the key properties of N-[1-(3-cyclopropylphenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]acetamide?
N-[1-(3-cyclopropylphenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]acetamide has a molecular weight of 558.49 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclopropylphenyl)sulfonyl-7-[2-(2,6-dichlorophenyl)-2-oxoethyl]-3,4-dihydro-2H-1,5-naphthyridin-3-yl]acetamide is sourced from PubChem (CID 161476933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).