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

C22H25N3OS — CID 7283972

IUPAC(2R)-2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
SMILESCc1nc(S[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C22H25N3OS/c1-15(13-14-18-9-5-4-6-10-18)23-21(26)16(2)27-22-19-11-7-8-12-20(19)24-17(3)25-22/h4-12,15-16H,13-14H2,1-3H3,(H,23,26)/t15-,16+/m0/s1
InChIKeyAGIFHBLMPDYYLS-JKSUJKDBSA-N
MW379.53 g/mol
LogP4.56
Rot. Bonds7

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

(2R)-2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]propanamide (PubChem CID 7283972) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is (2R)-2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
PubChem CID7283972
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name(2R)-2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
SMILESCc1nc(S[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C22H25N3OS/c1-15(13-14-18-9-5-4-6-10-18)23-21(26)16(2)27-22-19-11-7-8-12-20(19)24-17(3)25-22/h4-12,15-16H,13-14H2,1-3H3,(H,23,26)/t15-,16+/m0/s1
InChIKeyAGIFHBLMPDYYLS-JKSUJKDBSA-N
XLogP4.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78452543
2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7145553
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7145085
(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7145349
N-[(4-fluorophenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78667491
(2R)-N-(4-acetamidophenyl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 7133858
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-2-ylpropanamide
CID 78452622
(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
N-[(2-methoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78667490
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78667507
(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 40716255

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]propanamide?
The IUPAC name of (2R)-2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]propanamide (CID 7283972) is (2R)-2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]propanamide.
What is the SMILES notation for (2R)-2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]propanamide?
The canonical SMILES for (2R)-2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]propanamide is Cc1nc(S[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)c2ccccc2n1.
What is the InChIKey of (2R)-2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]propanamide?
The InChIKey is AGIFHBLMPDYYLS-JKSUJKDBSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-15(13-14-18-9-5-4-6-10-18)23-21(26)16(2)27-22-19-11-7-8-12-20(19)24-17(3)25-22/h4-12,15-16H,13-14H2,1-3H3,(H,23,26)/t15-,16+/m0/s1.
What are the key properties of (2R)-2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]propanamide?
(2R)-2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]propanamide has a molecular weight of 379.53 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]propanamide is sourced from PubChem (CID 7283972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).