2-(4-anilinoquinazolin-2-yl)sulfanyl-N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)acetamide

C24H28N4O3S2 — CID 17427665

IUPAC2-(4-anilinoquinazolin-2-yl)sulfanyl-N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCCC(C)N(C(=O)CSc1nc(Nc2ccccc2)c2ccccc2n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C24H28N4O3S2/c1-3-17(2)28(19-13-14-33(30,31)16-19)22(29)15-32-24-26-21-12-8-7-11-20(21)23(27-24)25-18-9-5-4-6-10-18/h4-12,17,19H,3,13-16H2,1-2H3,(H,25,26,27)
InChIKeyHYDHDZOIVPYCMN-UHFFFAOYSA-N
MW484.65 g/mol
LogP4.28
Rot. Bonds8

About 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)acetamide

2-(4-anilinoquinazolin-2-yl)sulfanyl-N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 17427665) has the molecular formula C24H28N4O3S2 and a molecular weight of 484.65 g/mol. Its IUPAC name is 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-anilinoquinazolin-2-yl)sulfanyl-N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID17427665
Molecular FormulaC24H28N4O3S2
Molecular Weight484.65 g/mol
Exact Mass484.16
IUPAC Name2-(4-anilinoquinazolin-2-yl)sulfanyl-N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCCC(C)N(C(=O)CSc1nc(Nc2ccccc2)c2ccccc2n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C24H28N4O3S2/c1-3-17(2)28(19-13-14-33(30,31)16-19)22(29)15-32-24-26-21-12-8-7-11-20(21)23(27-24)25-18-9-5-4-6-10-18/h4-12,17,19H,3,13-16H2,1-2H3,(H,25,26,27)
InChIKeyHYDHDZOIVPYCMN-UHFFFAOYSA-N
XLogP4.28
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.65
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)acetamide with MolForge

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Related Compounds

2-(4-anilinoquinazolin-2-yl)sulfanyl-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 41305732
N-[(2S)-butan-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 25362484
(2S)-2-(4-anilinoquinazolin-2-yl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
CID 40967795
N-[(2S)-butan-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 41000766
N-[(2R)-butan-2-yl]-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 40513413
N-[(2R)-butan-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 40862404
N-[(2R)-butan-2-yl]-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 92509699
2-(4-anilinoquinazolin-2-yl)sulfanyl-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide
CID 40811750
N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16510989
2-(4-acetamidophenyl)sulfanyl-N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4876732
N-[(2S)-butan-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 41117930
N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 4817785

Frequently Asked Questions

What is the IUPAC name of 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)acetamide (CID 17427665) is 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)acetamide is CCC(C)N(C(=O)CSc1nc(Nc2ccccc2)c2ccccc2n1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is HYDHDZOIVPYCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S2/c1-3-17(2)28(19-13-14-33(30,31)16-19)22(29)15-32-24-26-21-12-8-7-11-20(21)23(27-24)25-18-9-5-4-6-10-18/h4-12,17,19H,3,13-16H2,1-2H3,(H,25,26,27).
What are the key properties of 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)acetamide?
2-(4-anilinoquinazolin-2-yl)sulfanyl-N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 484.65 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 17427665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).