N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide

C23H25N3O4S2 — CID 2999884

IUPACN-benzyl-N-(1,1-dioxothiolan-3-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(=O)N(Cc2ccccc2)C2CCS(=O)(=O)C2)nc2ccccc2c1=O
InChIInChI=1S/C23H25N3O4S2/c1-2-25-22(28)19-10-6-7-11-20(19)24-23(25)31-15-21(27)26(14-17-8-4-3-5-9-17)18-12-13-32(29,30)16-18/h3-11,18H,2,12-16H2,1H3
InChIKeyBWJUGWKVFVQGGW-UHFFFAOYSA-N
MW471.60 g/mol
LogP2.72
Rot. Bonds7

About N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide

N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide (PubChem CID 2999884) has the molecular formula C23H25N3O4S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-N-(1,1-dioxothiolan-3-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
PubChem CID2999884
Molecular FormulaC23H25N3O4S2
Molecular Weight471.60 g/mol
Exact Mass471.13
IUPAC NameN-benzyl-N-(1,1-dioxothiolan-3-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(=O)N(Cc2ccccc2)C2CCS(=O)(=O)C2)nc2ccccc2c1=O
InChIInChI=1S/C23H25N3O4S2/c1-2-25-22(28)19-10-6-7-11-20(19)24-23(25)31-15-21(27)26(14-17-8-4-3-5-9-17)18-12-13-32(29,30)16-18/h3-11,18H,2,12-16H2,1H3
InChIKeyBWJUGWKVFVQGGW-UHFFFAOYSA-N
XLogP2.72
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide (CID 2999884) is N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide is CCn1c(SCC(=O)N(Cc2ccccc2)C2CCS(=O)(=O)C2)nc2ccccc2c1=O.
What is the InChIKey of N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The InChIKey is BWJUGWKVFVQGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S2/c1-2-25-22(28)19-10-6-7-11-20(19)24-23(25)31-15-21(27)26(14-17-8-4-3-5-9-17)18-12-13-32(29,30)16-18/h3-11,18H,2,12-16H2,1H3.
What are the key properties of N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide has a molecular weight of 471.60 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2999884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).