N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide

C19H25N3O4S2 — CID 4257868

IUPACN-(1,1-dioxothiolan-3-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C(=O)CSc1nc2ccccc2c(=O)n1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H25N3O4S2/c1-13(2)10-22(14-8-9-28(25,26)12-14)17(23)11-27-19-20-16-7-5-4-6-15(16)18(24)21(19)3/h4-7,13-14H,8-12H2,1-3H3
InChIKeyVGYPAHKOJZSACK-UHFFFAOYSA-N
MW423.56 g/mol
LogP1.70
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide

N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide (PubChem CID 4257868) has the molecular formula C19H25N3O4S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
PubChem CID4257868
Molecular FormulaC19H25N3O4S2
Molecular Weight423.56 g/mol
Exact Mass423.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C(=O)CSc1nc2ccccc2c(=O)n1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H25N3O4S2/c1-13(2)10-22(14-8-9-28(25,26)12-14)17(23)11-27-19-20-16-7-5-4-6-15(16)18(24)21(19)3/h4-7,13-14H,8-12H2,1-3H3
InChIKeyVGYPAHKOJZSACK-UHFFFAOYSA-N
XLogP1.70
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide (CID 4257868) is N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide is CC(C)CN(C(=O)CSc1nc2ccccc2c(=O)n1C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide?
The InChIKey is VGYPAHKOJZSACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S2/c1-13(2)10-22(14-8-9-28(25,26)12-14)17(23)11-27-19-20-16-7-5-4-6-15(16)18(24)21(19)3/h4-7,13-14H,8-12H2,1-3H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide?
N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide has a molecular weight of 423.56 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 4257868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).