N-[4-[(2-methylbenzo[h]quinolin-4-yl)sulfamoyl]phenyl]acetamide

C22H19N3O3S — CID 46308052

IUPACN-[4-[(2-methylbenzo[h]quinolin-4-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc3c2ccc2ccccc23)cc1
InChIInChI=1S/C22H19N3O3S/c1-14-13-21(20-12-7-16-5-3-4-6-19(16)22(20)23-14)25-29(27,28)18-10-8-17(9-11-18)24-15(2)26/h3-13H,1-2H3,(H,23,25)(H,24,26)
InChIKeyXTZOZQZANTVDKG-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.46
Rot. Bonds4

About N-[4-[(2-methylbenzo[h]quinolin-4-yl)sulfamoyl]phenyl]acetamide

N-[4-[(2-methylbenzo[h]quinolin-4-yl)sulfamoyl]phenyl]acetamide (PubChem CID 46308052) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[4-[(2-methylbenzo[h]quinolin-4-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-methylbenzo[h]quinolin-4-yl)sulfamoyl]phenyl]acetamide
PubChem CID46308052
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC NameN-[4-[(2-methylbenzo[h]quinolin-4-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc3c2ccc2ccccc23)cc1
InChIInChI=1S/C22H19N3O3S/c1-14-13-21(20-12-7-16-5-3-4-6-19(16)22(20)23-14)25-29(27,28)18-10-8-17(9-11-18)24-15(2)26/h3-13H,1-2H3,(H,23,25)(H,24,26)
InChIKeyXTZOZQZANTVDKG-UHFFFAOYSA-N
XLogP4.46
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[4-[(4-acetamidophenyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]sulfamoyl]phenyl]acetamide
CID 177445891
N-[4-[(4-naphthalen-1-yloxyphenyl)sulfamoyl]phenyl]acetamide
CID 58834881
1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide
CID 4549702
2-benzo[e][1]benzofuran-1-yl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 18860730
N-[4-[4-[(2-methyl-8-piperidin-1-ylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide
CID 137376661
methyl N-[4-(naphthalen-1-ylsulfamoyl)phenyl]carbamate
CID 1149220
N-[4-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]sulfamoyl]phenyl]acetamide
CID 108783814
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]naphthalene-1-carboxamide
CID 4132833
N-[4-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]sulfamoyl]phenyl]acetamide
CID 163729231
N-benzo[h]quinolin-4-ylbenzenesulfonamide
CID 46307991
2-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 7040069
2-[(4-acetamidophenyl)sulfonylamino]benzoic acid
CID 3863821

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methylbenzo[h]quinolin-4-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2-methylbenzo[h]quinolin-4-yl)sulfamoyl]phenyl]acetamide (CID 46308052) is N-[4-[(2-methylbenzo[h]quinolin-4-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-methylbenzo[h]quinolin-4-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-methylbenzo[h]quinolin-4-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc3c2ccc2ccccc23)cc1.
What is the InChIKey of N-[4-[(2-methylbenzo[h]quinolin-4-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is XTZOZQZANTVDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-14-13-21(20-12-7-16-5-3-4-6-19(16)22(20)23-14)25-29(27,28)18-10-8-17(9-11-18)24-15(2)26/h3-13H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[(2-methylbenzo[h]quinolin-4-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(2-methylbenzo[h]quinolin-4-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 405.48 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methylbenzo[h]quinolin-4-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 46308052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).