2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide

C22H23N3OS — CID 24579334

IUPAC2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Sc2nc(C3CC3)nc3ccccc23)c(C)c1
InChIInChI=1S/C22H23N3OS/c1-13-8-11-18(14(2)12-13)24-21(26)15(3)27-22-17-6-4-5-7-19(17)23-20(25-22)16-9-10-16/h4-8,11-12,15-16H,9-10H2,1-3H3,(H,24,26)
InChIKeyBGBWPQIIGCGNAO-UHFFFAOYSA-N
MW377.51 g/mol
LogP5.24
Rot. Bonds5

About 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide

2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide (PubChem CID 24579334) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide
PubChem CID24579334
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC Name2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)Sc2nc(C3CC3)nc3ccccc23)c(C)c1
InChIInChI=1S/C22H23N3OS/c1-13-8-11-18(14(2)12-13)24-21(26)15(3)27-22-17-6-4-5-7-19(17)23-20(25-22)16-9-10-16/h4-8,11-12,15-16H,9-10H2,1-3H3,(H,24,26)
InChIKeyBGBWPQIIGCGNAO-UHFFFAOYSA-N
XLogP5.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 24579339
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 24579343
(2S)-N-(2,4-dimethylphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanamide
CID 9308126
(2R)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41103853
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide
CID 24579333
N-(cyclopentylcarbamoyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylpropanamide
CID 24579373
(2R)-N-(2,4-dimethylphenyl)-2-phenylsulfanylpropanamide
CID 846798
(2S)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 41103851
2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)propanamide
CID 46618902
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide
CID 46618063
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,4-dimethylphenyl)propanamide
CID 46620299
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 24579367

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide (CID 24579334) is 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)C(C)Sc2nc(C3CC3)nc3ccccc23)c(C)c1.
What is the InChIKey of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is BGBWPQIIGCGNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-13-8-11-18(14(2)12-13)24-21(26)15(3)27-22-17-6-4-5-7-19(17)23-20(25-22)16-9-10-16/h4-8,11-12,15-16H,9-10H2,1-3H3,(H,24,26).
What are the key properties of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide?
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 377.51 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 24579334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).