N-[4-(dimethylsulfamoyl)phenyl]-2-(2-propylquinazolin-4-yl)sulfanylacetamide

C21H24N4O3S2 — CID 1442618

IUPACN-[4-(dimethylsulfamoyl)phenyl]-2-(2-propylquinazolin-4-yl)sulfanylacetamide
SMILESCCCc1nc(SCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc2n1
InChIInChI=1S/C21H24N4O3S2/c1-4-7-19-23-18-9-6-5-8-17(18)21(24-19)29-14-20(26)22-15-10-12-16(13-11-15)30(27,28)25(2)3/h5-6,8-13H,4,7,14H2,1-3H3,(H,22,26)
InChIKeyVCUPRQDEFIQQFH-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.56
Rot. Bonds8

About N-[4-(dimethylsulfamoyl)phenyl]-2-(2-propylquinazolin-4-yl)sulfanylacetamide

N-[4-(dimethylsulfamoyl)phenyl]-2-(2-propylquinazolin-4-yl)sulfanylacetamide (PubChem CID 1442618) has the molecular formula C21H24N4O3S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-2-(2-propylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-2-(2-propylquinazolin-4-yl)sulfanylacetamide
PubChem CID1442618
Molecular FormulaC21H24N4O3S2
Molecular Weight444.58 g/mol
Exact Mass444.13
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-2-(2-propylquinazolin-4-yl)sulfanylacetamide
SMILESCCCc1nc(SCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc2n1
InChIInChI=1S/C21H24N4O3S2/c1-4-7-19-23-18-9-6-5-8-17(18)21(24-19)29-14-20(26)22-15-10-12-16(13-11-15)30(27,28)25(2)3/h5-6,8-13H,4,7,14H2,1-3H3,(H,22,26)
InChIKeyVCUPRQDEFIQQFH-UHFFFAOYSA-N
XLogP3.56
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-(2-propylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-(2-propylquinazolin-4-yl)sulfanylacetamide (CID 1442618) is N-[4-(dimethylsulfamoyl)phenyl]-2-(2-propylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-2-(2-propylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-2-(2-propylquinazolin-4-yl)sulfanylacetamide is CCCc1nc(SCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc2n1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-2-(2-propylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is VCUPRQDEFIQQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S2/c1-4-7-19-23-18-9-6-5-8-17(18)21(24-19)29-14-20(26)22-15-10-12-16(13-11-15)30(27,28)25(2)3/h5-6,8-13H,4,7,14H2,1-3H3,(H,22,26).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-2-(2-propylquinazolin-4-yl)sulfanylacetamide?
N-[4-(dimethylsulfamoyl)phenyl]-2-(2-propylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 444.58 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-2-(2-propylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 1442618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).