N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-[4-[[7-(2-methylpropyl)-2-oxo-5-phenyl-1,6-naphthyridin-1-yl]methyl]phenyl]thiophene-2-sulfonamide

C35H34N4O4S2 — CID 25050472

IUPACN-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-[4-[[7-(2-methylpropyl)-2-oxo-5-phenyl-1,6-naphthyridin-1-yl]methyl]phenyl]thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(Cn3c(=O)ccc4c(-c5ccccc5)nc(CC(C)C)cc43)cc2)c(S(=O)(=O)Nc2noc(C)c2C)s1
InChIInChI=1S/C35H34N4O4S2/c1-21(2)17-28-19-31-29(33(36-28)27-9-7-6-8-10-27)15-16-32(40)39(31)20-25-11-13-26(14-12-25)30-18-22(3)44-35(30)45(41,42)38-34-23(4)24(5)43-37-34/h6-16,18-19,21H,17,20H2,1-5H3,(H,37,38)
InChIKeyDCZPSIUIOVEDMB-UHFFFAOYSA-N
MW638.82 g/mol
LogP7.75
Rot. Bonds9

About N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-[4-[[7-(2-methylpropyl)-2-oxo-5-phenyl-1,6-naphthyridin-1-yl]methyl]phenyl]thiophene-2-sulfonamide

N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-[4-[[7-(2-methylpropyl)-2-oxo-5-phenyl-1,6-naphthyridin-1-yl]methyl]phenyl]thiophene-2-sulfonamide (PubChem CID 25050472) has the molecular formula C35H34N4O4S2 and a molecular weight of 638.82 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-[4-[[7-(2-methylpropyl)-2-oxo-5-phenyl-1,6-naphthyridin-1-yl]methyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-[4-[[7-(2-methylpropyl)-2-oxo-5-phenyl-1,6-naphthyridin-1-yl]methyl]phenyl]thiophene-2-sulfonamide
PubChem CID25050472
Molecular FormulaC35H34N4O4S2
Molecular Weight638.82 g/mol
Exact Mass638.20
IUPAC NameN-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-[4-[[7-(2-methylpropyl)-2-oxo-5-phenyl-1,6-naphthyridin-1-yl]methyl]phenyl]thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(Cn3c(=O)ccc4c(-c5ccccc5)nc(CC(C)C)cc43)cc2)c(S(=O)(=O)Nc2noc(C)c2C)s1
InChIInChI=1S/C35H34N4O4S2/c1-21(2)17-28-19-31-29(33(36-28)27-9-7-6-8-10-27)15-16-32(40)39(31)20-25-11-13-26(14-12-25)30-18-22(3)44-35(30)45(41,42)38-34-23(4)24(5)43-37-34/h6-16,18-19,21H,17,20H2,1-5H3,(H,37,38)
InChIKeyDCZPSIUIOVEDMB-UHFFFAOYSA-N
XLogP7.75
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.82
LogP ≤ 57.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-[4-[[7-(2-methylpropyl)-2-oxo-5-phenyl-1,6-naphthyridin-1-yl]methyl]phenyl]thiophene-2-sulfonamide with MolForge

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Related Compounds

N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-(2-hydroxyethyl)-4-[[3-methyl-6-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)pyrazolo[4,5-c]pyridin-1-yl]methyl]phenyl]-5-methylthiophene-2-sulfonamide
CID 25050325
3-[4-[[4-(cyclopropylmethyl)-6-(2-methylpropyl)pyrazolo[4,5-c]pyridin-1-yl]methyl]-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide
CID 25050326
N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[4-[(6-ethyl-4-methyl-3-phenylpyrazolo[4,3-c]pyridin-1-yl)methyl]phenyl]-1-benzothiophene-2-sulfonamide
CID 25051486
3-[2-chloro-4-[(5-phenyl-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide
CID 25051812
3-[2-chloro-4-[6-methoxy-2-methyl-3-(2-methylpropyl)quinoline-4-carbonyl]phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide
CID 91543411
3-[[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]phenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxamide
CID 69182547
N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[4-[(3-methoxy-4,6-dimethylpyrazolo[4,3-c]pyridin-1-yl)methyl]-2-(2-methoxyethoxy)phenyl]-5-methylthiophene-2-sulfonamide
CID 25049853
3-[2-(ethoxymethyl)-4-[(6-ethyl-4-methyl-3-phenylpyrazolo[4,3-c]pyridin-1-yl)methyl]phenyl]-5-methylthiophene-2-sulfonic acid;N-(2-methoxyethoxymethyl)-4,5-dimethyl-1,2-oxazol-3-amine
CID 172754972
3-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]-2-methylphenyl]-N-(3,5-dimethyl-2H-1,2-oxazol-5-yl)-5-methylthiophene-2-sulfonamide
CID 25050812
N-[2-[4-[(5,7-diethyl-2-oxo-1,6-naphthyridin-1-yl)methyl]phenyl]phenyl]sulfonylacetamide
CID 19093738
3-[4-[[4,6-dimethyl-3-(5-methylthiophen-2-yl)pyrazolo[4,3-c]pyridin-1-yl]methyl]phenyl]-5-methyl-N-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
CID 25051987
N-[(4,5-dimethyl-1,2-oxazol-3-yl)-(2-methoxyethoxy)methyl]-5-methyl-3-[4-(methylsulfonylmethyl)phenyl]thiophene-2-sulfonamide
CID 91013271

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-[4-[[7-(2-methylpropyl)-2-oxo-5-phenyl-1,6-naphthyridin-1-yl]methyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-[4-[[7-(2-methylpropyl)-2-oxo-5-phenyl-1,6-naphthyridin-1-yl]methyl]phenyl]thiophene-2-sulfonamide (CID 25050472) is N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-[4-[[7-(2-methylpropyl)-2-oxo-5-phenyl-1,6-naphthyridin-1-yl]methyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-[4-[[7-(2-methylpropyl)-2-oxo-5-phenyl-1,6-naphthyridin-1-yl]methyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-[4-[[7-(2-methylpropyl)-2-oxo-5-phenyl-1,6-naphthyridin-1-yl]methyl]phenyl]thiophene-2-sulfonamide is Cc1cc(-c2ccc(Cn3c(=O)ccc4c(-c5ccccc5)nc(CC(C)C)cc43)cc2)c(S(=O)(=O)Nc2noc(C)c2C)s1.
What is the InChIKey of N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-[4-[[7-(2-methylpropyl)-2-oxo-5-phenyl-1,6-naphthyridin-1-yl]methyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is DCZPSIUIOVEDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N4O4S2/c1-21(2)17-28-19-31-29(33(36-28)27-9-7-6-8-10-27)15-16-32(40)39(31)20-25-11-13-26(14-12-25)30-18-22(3)44-35(30)45(41,42)38-34-23(4)24(5)43-37-34/h6-16,18-19,21H,17,20H2,1-5H3,(H,37,38).
What are the key properties of N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-[4-[[7-(2-methylpropyl)-2-oxo-5-phenyl-1,6-naphthyridin-1-yl]methyl]phenyl]thiophene-2-sulfonamide?
N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-[4-[[7-(2-methylpropyl)-2-oxo-5-phenyl-1,6-naphthyridin-1-yl]methyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 638.82 g/mol, XLogP of 7.75, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-[4-[[7-(2-methylpropyl)-2-oxo-5-phenyl-1,6-naphthyridin-1-yl]methyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 25050472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).