3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide

C22H24N4O4S — CID 55359950

IUPAC3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CCc2nc3ccccc3c(=O)n2C2CC2)c1
InChIInChI=1S/C22H24N4O4S/c1-25(2)31(29,30)17-7-5-6-15(14-17)23-21(27)13-12-20-24-19-9-4-3-8-18(19)22(28)26(20)16-10-11-16/h3-9,14,16H,10-13H2,1-2H3,(H,23,27)
InChIKeyWTYUKIGJSJYABK-UHFFFAOYSA-N
MW440.53 g/mol
LogP2.55
Rot. Bonds7

About 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide

3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide (PubChem CID 55359950) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
PubChem CID55359950
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CCc2nc3ccccc3c(=O)n2C2CC2)c1
InChIInChI=1S/C22H24N4O4S/c1-25(2)31(29,30)17-7-5-6-15(14-17)23-21(27)13-12-20-24-19-9-4-3-8-18(19)22(28)26(20)16-10-11-16/h3-9,14,16H,10-13H2,1-2H3,(H,23,27)
InChIKeyWTYUKIGJSJYABK-UHFFFAOYSA-N
XLogP2.55
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
CID 55515218
S-[4-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoylamino]phenyl] N,N-dimethylcarbamothioate
CID 56579902
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-[(4-fluorophenyl)methoxy]phenyl]propanamide
CID 55632270
N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanamide
CID 55802198
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009414
2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoylamino]-N-(3-methoxyphenyl)benzamide
CID 55359984
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid
CID 7131753
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 55433139
N-[4-(2-chlorophenoxy)phenyl]-3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanamide
CID 55453569
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 55730905
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(9H-xanthen-9-yl)propanamide
CID 56547700
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 55466640

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide (CID 55359950) is 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide is CN(C)S(=O)(=O)c1cccc(NC(=O)CCc2nc3ccccc3c(=O)n2C2CC2)c1.
What is the InChIKey of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide?
The InChIKey is WTYUKIGJSJYABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-25(2)31(29,30)17-7-5-6-15(14-17)23-21(27)13-12-20-24-19-9-4-3-8-18(19)22(28)26(20)16-10-11-16/h3-9,14,16H,10-13H2,1-2H3,(H,23,27).
What are the key properties of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide?
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide has a molecular weight of 440.53 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 55359950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).