(2R)-N-(4-acetamidophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide

C20H20N4O2S — CID 7133858

IUPAC(2R)-N-(4-acetamidophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nc(C)nc3ccccc23)cc1
InChIInChI=1S/C20H20N4O2S/c1-12(19(26)24-16-10-8-15(9-11-16)23-14(3)25)27-20-17-6-4-5-7-18(17)21-13(2)22-20/h4-12H,1-3H3,(H,23,25)(H,24,26)/t12-/m1/s1
InChIKeyLZUSDYGRMXYYSK-GFCCVEGCSA-N
MW380.47 g/mol
LogP4.02
Rot. Bonds5

About (2R)-N-(4-acetamidophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide

(2R)-N-(4-acetamidophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide (PubChem CID 7133858) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is (2R)-N-(4-acetamidophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetamidophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
PubChem CID7133858
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name(2R)-N-(4-acetamidophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nc(C)nc3ccccc23)cc1
InChIInChI=1S/C20H20N4O2S/c1-12(19(26)24-16-10-8-15(9-11-16)23-14(3)25)27-20-17-6-4-5-7-18(17)21-13(2)22-20/h4-12H,1-3H3,(H,23,25)(H,24,26)/t12-/m1/s1
InChIKeyLZUSDYGRMXYYSK-GFCCVEGCSA-N
XLogP4.02
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(2-methylquinazolin-4-yl)sulfanylpropanoyl]phenyl]acetamide
CID 84601741
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-2-ylpropanamide
CID 78452622
2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-nitrophenyl)propanamide
CID 84601709
(2R)-N-(3-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7133868
N-(3-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78452550
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78667507
N-benzyl-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78452543
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7145064
(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7145059
(2R)-2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7283972
N-[(4-fluorophenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78667491
(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7145349

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetamidophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(4-acetamidophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide (CID 7133858) is (2R)-N-(4-acetamidophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(4-acetamidophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(4-acetamidophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide is CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nc(C)nc3ccccc23)cc1.
What is the InChIKey of (2R)-N-(4-acetamidophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide?
The InChIKey is LZUSDYGRMXYYSK-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-12(19(26)24-16-10-8-15(9-11-16)23-14(3)25)27-20-17-6-4-5-7-18(17)21-13(2)22-20/h4-12H,1-3H3,(H,23,25)(H,24,26)/t12-/m1/s1.
What are the key properties of (2R)-N-(4-acetamidophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide?
(2R)-N-(4-acetamidophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide has a molecular weight of 380.47 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetamidophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide is sourced from PubChem (CID 7133858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).