2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide

C21H23N3OS — CID 7145553

IUPAC2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESCc1nc(SCC(=O)N[C@H](C)CCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C21H23N3OS/c1-15(12-13-17-8-4-3-5-9-17)22-20(25)14-26-21-18-10-6-7-11-19(18)23-16(2)24-21/h3-11,15H,12-14H2,1-2H3,(H,22,25)/t15-/m1/s1
InChIKeyWPUBZIOSUJVJFA-OAHLLOKOSA-N
MW365.50 g/mol
LogP4.17
Rot. Bonds7

About 2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide

2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide (PubChem CID 7145553) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
PubChem CID7145553
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESCc1nc(SCC(=O)N[C@H](C)CCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C21H23N3OS/c1-15(12-13-17-8-4-3-5-9-17)22-20(25)14-26-21-18-10-6-7-11-19(18)23-16(2)24-21/h3-11,15H,12-14H2,1-2H3,(H,22,25)/t15-/m1/s1
InChIKeyWPUBZIOSUJVJFA-OAHLLOKOSA-N
XLogP4.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide with MolForge

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Related Compounds

(2R)-2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7283972
2-(4-methylquinolin-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2488351
2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide
CID 4683672
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7210089
N-[1-(4-chlorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 78452790
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2624250
2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 92869824
N-(3-methylbutylcarbamoyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7144886
N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide
CID 7133852
2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]-N-(4-phenylbutan-2-yl)acetamide
CID 3486879
N-[(2S)-4-phenylbutan-2-yl]-2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylacetamide
CID 25412067
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7145516

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide (CID 7145553) is 2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide is Cc1nc(SCC(=O)N[C@H](C)CCc2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The InChIKey is WPUBZIOSUJVJFA-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-15(12-13-17-8-4-3-5-9-17)22-20(25)14-26-21-18-10-6-7-11-19(18)23-16(2)24-21/h3-11,15H,12-14H2,1-2H3,(H,22,25)/t15-/m1/s1.
What are the key properties of 2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide?
2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide has a molecular weight of 365.50 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 7145553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).