(2R)-N-(3-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide

C18H16ClN3OS — CID 7133868

IUPAC(2R)-N-(3-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
SMILESCc1nc(S[C@H](C)C(=O)Nc2cccc(Cl)c2)c2ccccc2n1
InChIInChI=1S/C18H16ClN3OS/c1-11(17(23)22-14-7-5-6-13(19)10-14)24-18-15-8-3-4-9-16(15)20-12(2)21-18/h3-11H,1-2H3,(H,22,23)/t11-/m1/s1
InChIKeyAFSQCCDEPMRBHT-LLVKDONJSA-N
MW357.87 g/mol
LogP4.71
Rot. Bonds4

About (2R)-N-(3-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide

(2R)-N-(3-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide (PubChem CID 7133868) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is (2R)-N-(3-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(3-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
PubChem CID7133868
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC Name(2R)-N-(3-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
SMILESCc1nc(S[C@H](C)C(=O)Nc2cccc(Cl)c2)c2ccccc2n1
InChIInChI=1S/C18H16ClN3OS/c1-11(17(23)22-14-7-5-6-13(19)10-14)24-18-15-8-3-4-9-16(15)20-12(2)21-18/h3-11H,1-2H3,(H,22,23)/t11-/m1/s1
InChIKeyAFSQCCDEPMRBHT-LLVKDONJSA-N
XLogP4.71
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78452550
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-2-ylpropanamide
CID 78452622
(2R)-N-(4-acetamidophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7133858
(2R)-N-(3-chlorophenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 135745681
2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-nitrophenyl)propanamide
CID 84601709
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
N-[4-[2-(2-methylquinazolin-4-yl)sulfanylpropanoyl]phenyl]acetamide
CID 84601741
(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)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 894028
(2R)-2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7283972

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(3-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide (CID 7133868) is (2R)-N-(3-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(3-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(3-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide is Cc1nc(S[C@H](C)C(=O)Nc2cccc(Cl)c2)c2ccccc2n1.
What is the InChIKey of (2R)-N-(3-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide?
The InChIKey is AFSQCCDEPMRBHT-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c1-11(17(23)22-14-7-5-6-13(19)10-14)24-18-15-8-3-4-9-16(15)20-12(2)21-18/h3-11H,1-2H3,(H,22,23)/t11-/m1/s1.
What are the key properties of (2R)-N-(3-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide?
(2R)-N-(3-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide has a molecular weight of 357.87 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide is sourced from PubChem (CID 7133868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).