N-[4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(4-methoxyphenyl)sulfamoyl]phenyl]acetamide

C26H25N3O6S — CID 4970208

IUPACN-[4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C26H25N3O6S/c1-17(30)27-20-4-11-24(12-5-20)36(32,33)29(21-6-8-22(34-2)9-7-21)16-19-14-18-15-23(35-3)10-13-25(18)28-26(19)31/h4-15H,16H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyQWTBSIKDZWICLR-UHFFFAOYSA-N
MW507.57 g/mol
LogP3.90
Rot. Bonds8

About N-[4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(4-methoxyphenyl)sulfamoyl]phenyl]acetamide

N-[4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(4-methoxyphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 4970208) has the molecular formula C26H25N3O6S and a molecular weight of 507.57 g/mol. Its IUPAC name is N-[4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(4-methoxyphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
PubChem CID4970208
Molecular FormulaC26H25N3O6S
Molecular Weight507.57 g/mol
Exact Mass507.15
IUPAC NameN-[4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C26H25N3O6S/c1-17(30)27-20-4-11-24(12-5-20)36(32,33)29(21-6-8-22(34-2)9-7-21)16-19-14-18-15-23(35-3)10-13-25(18)28-26(19)31/h4-15H,16H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyQWTBSIKDZWICLR-UHFFFAOYSA-N
XLogP3.90
TPSA117.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.57
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(4-methoxyphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(4-methoxyphenyl)sulfamoyl]phenyl]acetamide (CID 4970208) is N-[4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(4-methoxyphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(4-methoxyphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(4-methoxyphenyl)sulfamoyl]phenyl]acetamide is COc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(4-methoxyphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is QWTBSIKDZWICLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O6S/c1-17(30)27-20-4-11-24(12-5-20)36(32,33)29(21-6-8-22(34-2)9-7-21)16-19-14-18-15-23(35-3)10-13-25(18)28-26(19)31/h4-15H,16H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of N-[4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(4-methoxyphenyl)sulfamoyl]phenyl]acetamide?
N-[4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(4-methoxyphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 507.57 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(4-methoxyphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4970208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).