N-[4-[(2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]phenyl]acetamide

C24H22N4O4S — CID 4870978

IUPACN-[4-[(2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(Cc2cccnc2)Cc2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C24H22N4O4S/c1-17(29)26-21-8-10-22(11-9-21)33(31,32)28(15-18-5-4-12-25-14-18)16-20-13-19-6-2-3-7-23(19)27-24(20)30/h2-14H,15-16H2,1H3,(H,26,29)(H,27,30)
InChIKeyFIMRVWYKEHWJCS-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.27
Rot. Bonds7

About N-[4-[(2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]phenyl]acetamide

N-[4-[(2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]phenyl]acetamide (PubChem CID 4870978) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[4-[(2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]phenyl]acetamide
PubChem CID4870978
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC NameN-[4-[(2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(Cc2cccnc2)Cc2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C24H22N4O4S/c1-17(29)26-21-8-10-22(11-9-21)33(31,32)28(15-18-5-4-12-25-14-18)16-20-13-19-6-2-3-7-23(19)27-24(20)30/h2-14H,15-16H2,1H3,(H,26,29)(H,27,30)
InChIKeyFIMRVWYKEHWJCS-UHFFFAOYSA-N
XLogP3.27
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]phenyl]acetamide (CID 4870978) is N-[4-[(2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(Cc2cccnc2)Cc2cc3ccccc3[nH]c2=O)cc1.
What is the InChIKey of N-[4-[(2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]phenyl]acetamide?
The InChIKey is FIMRVWYKEHWJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-17(29)26-21-8-10-22(11-9-21)33(31,32)28(15-18-5-4-12-25-14-18)16-20-13-19-6-2-3-7-23(19)27-24(20)30/h2-14H,15-16H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-[4-[(2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]phenyl]acetamide?
N-[4-[(2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]phenyl]acetamide has a molecular weight of 462.53 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4870978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).