N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide

C21H23ClN4O4S — CID 55379148

IUPACN-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)Cn2c(C)nc3ccccc3c2=O)c1
InChIInChI=1S/C21H23ClN4O4S/c1-4-25(5-2)31(29,30)15-10-11-17(22)19(12-15)24-20(27)13-26-14(3)23-18-9-7-6-8-16(18)21(26)28/h6-12H,4-5,13H2,1-3H3,(H,24,27)
InChIKeyQAAHUSBDOHAUQV-UHFFFAOYSA-N
MW462.96 g/mol
LogP3.03
Rot. Bonds7

About N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide

N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 55379148) has the molecular formula C21H23ClN4O4S and a molecular weight of 462.96 g/mol. Its IUPAC name is N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID55379148
Molecular FormulaC21H23ClN4O4S
Molecular Weight462.96 g/mol
Exact Mass462.11
IUPAC NameN-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)Cn2c(C)nc3ccccc3c2=O)c1
InChIInChI=1S/C21H23ClN4O4S/c1-4-25(5-2)31(29,30)15-10-11-17(22)19(12-15)24-20(27)13-26-14(3)23-18-9-7-6-8-16(18)21(26)28/h6-12H,4-5,13H2,1-3H3,(H,24,27)
InChIKeyQAAHUSBDOHAUQV-UHFFFAOYSA-N
XLogP3.03
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.96
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 16542603
N-(2-methoxyphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 860126
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 26977901
2-(2-methyl-4-oxoquinazolin-3-yl)acetate
CID 6971388
2-[benzyl(methyl)amino]-N-[2-chloro-5-(diethylsulfamoyl)phenyl]acetamide
CID 8901118
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 55343278
3-[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 24529074
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 112797360
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 4804966
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4172431
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 24643942
1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(N-methylanilino)propyl]urea
CID 55701839

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide (CID 55379148) is N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)Cn2c(C)nc3ccccc3c2=O)c1.
What is the InChIKey of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is QAAHUSBDOHAUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O4S/c1-4-25(5-2)31(29,30)15-10-11-17(22)19(12-15)24-20(27)13-26-14(3)23-18-9-7-6-8-16(18)21(26)28/h6-12H,4-5,13H2,1-3H3,(H,24,27).
What are the key properties of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 462.96 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 55379148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).