N-[4-[2-(2-methylquinazolin-4-yl)sulfanylpropanoyl]phenyl]acetamide

C20H19N3O2S — CID 84601741

IUPACN-[4-[2-(2-methylquinazolin-4-yl)sulfanylpropanoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)C(C)Sc2nc(C)nc3ccccc23)cc1
InChIInChI=1S/C20H19N3O2S/c1-12(19(25)15-8-10-16(11-9-15)23-14(3)24)26-20-17-6-4-5-7-18(17)21-13(2)22-20/h4-12H,1-3H3,(H,23,24)
InChIKeyUGVDFMGSZPJCDO-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.26
Rot. Bonds5

About N-[4-[2-(2-methylquinazolin-4-yl)sulfanylpropanoyl]phenyl]acetamide

N-[4-[2-(2-methylquinazolin-4-yl)sulfanylpropanoyl]phenyl]acetamide (PubChem CID 84601741) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[4-[2-(2-methylquinazolin-4-yl)sulfanylpropanoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-methylquinazolin-4-yl)sulfanylpropanoyl]phenyl]acetamide
PubChem CID84601741
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-[4-[2-(2-methylquinazolin-4-yl)sulfanylpropanoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)C(C)Sc2nc(C)nc3ccccc23)cc1
InChIInChI=1S/C20H19N3O2S/c1-12(19(25)15-8-10-16(11-9-15)23-14(3)24)26-20-17-6-4-5-7-18(17)21-13(2)22-20/h4-12H,1-3H3,(H,23,24)
InChIKeyUGVDFMGSZPJCDO-UHFFFAOYSA-N
XLogP4.26
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methylquinazolin-4-yl)sulfanylpropanoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(2-methylquinazolin-4-yl)sulfanylpropanoyl]phenyl]acetamide (CID 84601741) is N-[4-[2-(2-methylquinazolin-4-yl)sulfanylpropanoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(2-methylquinazolin-4-yl)sulfanylpropanoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(2-methylquinazolin-4-yl)sulfanylpropanoyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)C(C)Sc2nc(C)nc3ccccc23)cc1.
What is the InChIKey of N-[4-[2-(2-methylquinazolin-4-yl)sulfanylpropanoyl]phenyl]acetamide?
The InChIKey is UGVDFMGSZPJCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-12(19(25)15-8-10-16(11-9-15)23-14(3)24)26-20-17-6-4-5-7-18(17)21-13(2)22-20/h4-12H,1-3H3,(H,23,24).
What are the key properties of N-[4-[2-(2-methylquinazolin-4-yl)sulfanylpropanoyl]phenyl]acetamide?
N-[4-[2-(2-methylquinazolin-4-yl)sulfanylpropanoyl]phenyl]acetamide has a molecular weight of 365.46 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methylquinazolin-4-yl)sulfanylpropanoyl]phenyl]acetamide is sourced from PubChem (CID 84601741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).