2-[3-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide

C21H24N4O4S2 — CID 2551425

IUPAC2-[3-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1-n1c(SCC(=O)N(C)C)nc2ccccc2c1=O
InChIInChI=1S/C21H24N4O4S2/c1-14-10-11-15(31(28,29)24(4)5)12-18(14)25-20(27)16-8-6-7-9-17(16)22-21(25)30-13-19(26)23(2)3/h6-12H,13H2,1-5H3
InChIKeyGVIHQTJLQULWBI-UHFFFAOYSA-N
MW460.58 g/mol
LogP2.12
Rot. Bonds6

About 2-[3-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide

2-[3-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide (PubChem CID 2551425) has the molecular formula C21H24N4O4S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 2-[3-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide
PubChem CID2551425
Molecular FormulaC21H24N4O4S2
Molecular Weight460.58 g/mol
Exact Mass460.12
IUPAC Name2-[3-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1-n1c(SCC(=O)N(C)C)nc2ccccc2c1=O
InChIInChI=1S/C21H24N4O4S2/c1-14-10-11-15(31(28,29)24(4)5)12-18(14)25-20(27)16-8-6-7-9-17(16)22-21(25)30-13-19(26)23(2)3/h6-12H,13H2,1-5H3
InChIKeyGVIHQTJLQULWBI-UHFFFAOYSA-N
XLogP2.12
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide?
The IUPAC name of 2-[3-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide (CID 2551425) is 2-[3-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide is Cc1ccc(S(=O)(=O)N(C)C)cc1-n1c(SCC(=O)N(C)C)nc2ccccc2c1=O.
What is the InChIKey of 2-[3-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide?
The InChIKey is GVIHQTJLQULWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S2/c1-14-10-11-15(31(28,29)24(4)5)12-18(14)25-20(27)16-8-6-7-9-17(16)22-21(25)30-13-19(26)23(2)3/h6-12H,13H2,1-5H3.
What are the key properties of 2-[3-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide?
2-[3-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide has a molecular weight of 460.58 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide is sourced from PubChem (CID 2551425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).