(2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-(4-phenylphenyl)ethenylsulfinyl]phenyl]propanamide

C24H24N2O3S — CID 174538216

IUPAC(2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-(4-phenylphenyl)ethenylsulfinyl]phenyl]propanamide
SMILESC[C@](N)(CO)C(=O)Nc1ccc(S(=O)C=Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H24N2O3S/c1-24(25,17-27)23(28)26-21-11-13-22(14-12-21)30(29)16-15-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-16,27H,17,25H2,1H3,(H,26,28)/t24-,30?/m0/s1
InChIKeyMSAVMKQDADRTRQ-YJJLJQPASA-N
MW420.53 g/mol
LogP3.78
Rot. Bonds7

About (2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-(4-phenylphenyl)ethenylsulfinyl]phenyl]propanamide

(2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-(4-phenylphenyl)ethenylsulfinyl]phenyl]propanamide (PubChem CID 174538216) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-(4-phenylphenyl)ethenylsulfinyl]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-(4-phenylphenyl)ethenylsulfinyl]phenyl]propanamide
PubChem CID174538216
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name(2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-(4-phenylphenyl)ethenylsulfinyl]phenyl]propanamide
SMILESC[C@](N)(CO)C(=O)Nc1ccc(S(=O)C=Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H24N2O3S/c1-24(25,17-27)23(28)26-21-11-13-22(14-12-21)30(29)16-15-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-16,27H,17,25H2,1H3,(H,26,28)/t24-,30?/m0/s1
InChIKeyMSAVMKQDADRTRQ-YJJLJQPASA-N
XLogP3.78
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-hydroxy-2-methyl-N-[4-[3-(3-phenylphenyl)propanoyl]phenyl]propanamide
CID 11682809
2-amino-N-[4-(3-butoxyphenyl)phenyl]-3-hydroxy-2-methylpropanamide
CID 73021177
(2S)-2-amino-3-hydroxy-2-methyl-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 143188431
N-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide
CID 4136318
1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-phenylphenyl)urea
CID 108867208
[2-amino-2-methyl-3-oxo-3-[4-[2-(4-phenylphenyl)ethylsulfinyl]anilino]propyl] dihydrogen phosphate
CID 69276552
ethyl (E)-3-[4-[(2-amino-2-methylpropanoyl)amino]phenyl]prop-2-enoate
CID 66931798
ethyl 3-[4-[(2-amino-2-methylpropanoyl)amino]phenyl]prop-2-enoate
CID 58866370
2-methyl-2-(methylamino)-N-(4-phenylphenyl)propanamide
CID 62836926
2,2,2-trifluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
CID 141369710
3-amino-2,2-dimethyl-N-(4-phenylphenyl)-3-sulfanylidenepropanamide
CID 62253500
2-amino-2-methyl-N-phenylpropanamide;hydrochloride
CID 53409029

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-(4-phenylphenyl)ethenylsulfinyl]phenyl]propanamide?
The IUPAC name of (2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-(4-phenylphenyl)ethenylsulfinyl]phenyl]propanamide (CID 174538216) is (2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-(4-phenylphenyl)ethenylsulfinyl]phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-(4-phenylphenyl)ethenylsulfinyl]phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-(4-phenylphenyl)ethenylsulfinyl]phenyl]propanamide is C[C@](N)(CO)C(=O)Nc1ccc(S(=O)C=Cc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of (2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-(4-phenylphenyl)ethenylsulfinyl]phenyl]propanamide?
The InChIKey is MSAVMKQDADRTRQ-YJJLJQPASA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-24(25,17-27)23(28)26-21-11-13-22(14-12-21)30(29)16-15-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-16,27H,17,25H2,1H3,(H,26,28)/t24-,30?/m0/s1.
What are the key properties of (2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-(4-phenylphenyl)ethenylsulfinyl]phenyl]propanamide?
(2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-(4-phenylphenyl)ethenylsulfinyl]phenyl]propanamide has a molecular weight of 420.53 g/mol, XLogP of 3.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxy-2-methyl-N-[4-[2-(4-phenylphenyl)ethenylsulfinyl]phenyl]propanamide is sourced from PubChem (CID 174538216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).