N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide

C25H31N3O4S — CID 43000493

IUPACN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
SMILESCCOc1ccc(NC(=O)Cc2c(C)nc3ccccc3c2C)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C25H31N3O4S/c1-6-28(7-2)33(30,31)24-15-19(13-14-23(24)32-8-3)27-25(29)16-21-17(4)20-11-9-10-12-22(20)26-18(21)5/h9-15H,6-8,16H2,1-5H3,(H,27,29)
InChIKeyZPSXGVMXUAMQRR-UHFFFAOYSA-N
MW469.61 g/mol
LogP4.46
Rot. Bonds9

About N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide

N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide (PubChem CID 43000493) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
PubChem CID43000493
Molecular FormulaC25H31N3O4S
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC NameN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
SMILESCCOc1ccc(NC(=O)Cc2c(C)nc3ccccc3c2C)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C25H31N3O4S/c1-6-28(7-2)33(30,31)24-15-19(13-14-23(24)32-8-3)27-25(29)16-21-17(4)20-11-9-10-12-22(20)26-18(21)5/h9-15H,6-8,16H2,1-5H3,(H,27,29)
InChIKeyZPSXGVMXUAMQRR-UHFFFAOYSA-N
XLogP4.46
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 26364618
N-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide
CID 55349891
3-(1H-benzimidazol-2-yl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 35955668
2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 119686493
N-[3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 55532542
3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119686501
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 55337258
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide
CID 31541629
2-(2,4-dimethylquinolin-3-yl)-N-quinolin-3-ylacetamide
CID 18146501
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1-methylindole-3-carboxamide
CID 26369530
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135869204
2-(2,4-dimethylquinolin-3-yl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide
CID 36551375

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide (CID 43000493) is N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide is CCOc1ccc(NC(=O)Cc2c(C)nc3ccccc3c2C)cc1S(=O)(=O)N(CC)CC.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
The InChIKey is ZPSXGVMXUAMQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S/c1-6-28(7-2)33(30,31)24-15-19(13-14-23(24)32-8-3)27-25(29)16-21-17(4)20-11-9-10-12-22(20)26-18(21)5/h9-15H,6-8,16H2,1-5H3,(H,27,29).
What are the key properties of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide has a molecular weight of 469.61 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide is sourced from PubChem (CID 43000493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).