ethyl (2R)-3-methylsulfanyl-2-[(2-phenylbenzoyl)amino]propanoate

C19H21NO3S — CID 67365397

IUPACethyl (2R)-3-methylsulfanyl-2-[(2-phenylbenzoyl)amino]propanoate
SMILESCCOC(=O)[C@H](CSC)NC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H21NO3S/c1-3-23-19(22)17(13-24-2)20-18(21)16-12-8-7-11-15(16)14-9-5-4-6-10-14/h4-12,17H,3,13H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyLQBCSRANHANCBZ-KRWDZBQOSA-N
MW343.45 g/mol
LogP3.38
Rot. Bonds7

About ethyl (2R)-3-methylsulfanyl-2-[(2-phenylbenzoyl)amino]propanoate

ethyl (2R)-3-methylsulfanyl-2-[(2-phenylbenzoyl)amino]propanoate (PubChem CID 67365397) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is ethyl (2R)-3-methylsulfanyl-2-[(2-phenylbenzoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl (2R)-3-methylsulfanyl-2-[(2-phenylbenzoyl)amino]propanoate
PubChem CID67365397
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Nameethyl (2R)-3-methylsulfanyl-2-[(2-phenylbenzoyl)amino]propanoate
SMILESCCOC(=O)[C@H](CSC)NC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H21NO3S/c1-3-23-19(22)17(13-24-2)20-18(21)16-12-8-7-11-15(16)14-9-5-4-6-10-14/h4-12,17H,3,13H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyLQBCSRANHANCBZ-KRWDZBQOSA-N
XLogP3.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-ethoxy-4-oxo-3-[(2-phenylbenzoyl)amino]butane-1-sulfonic acid
CID 87371804
ethyl 2-oxo-4-phenyl-3-[(2-phenylbenzoyl)amino]butanoate
CID 18690973
(3S)-4-butoxy-4-oxo-3-[(2-phenylbenzoyl)amino]butane-1-sulfonic acid
CID 87373080
ethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 43877551
ethyl 2-[[5-[(1-ethoxy-3-methylsulfanyl-1-oxopropan-2-yl)carbamoyl]-4-methylthiophene-3-carbonyl]amino]-3-methylsulfanylpropanoate
CID 58451806
ethyl (2S)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate
CID 35526508
N-(1-amino-1-oxo-4-phenylbutan-2-yl)-2-phenylbenzamide
CID 68725551
ethyl (2S)-2-[(2-benzamidobenzoyl)amino]butanoate
CID 2177719
2-[(2-phenylbenzoyl)amino]-3-sulfanylpropanoic acid
CID 87373520
N-[(2S)-1-amino-3-methylbutan-2-yl]-2-phenylbenzamide
CID 68724562
ethyl (2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoate
CID 10686559
ethyl 2-benzamido-3-tert-butylsulfanylpropanoate
CID 68746269

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-3-methylsulfanyl-2-[(2-phenylbenzoyl)amino]propanoate?
The IUPAC name of ethyl (2R)-3-methylsulfanyl-2-[(2-phenylbenzoyl)amino]propanoate (CID 67365397) is ethyl (2R)-3-methylsulfanyl-2-[(2-phenylbenzoyl)amino]propanoate.
What is the SMILES notation for ethyl (2R)-3-methylsulfanyl-2-[(2-phenylbenzoyl)amino]propanoate?
The canonical SMILES for ethyl (2R)-3-methylsulfanyl-2-[(2-phenylbenzoyl)amino]propanoate is CCOC(=O)[C@H](CSC)NC(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of ethyl (2R)-3-methylsulfanyl-2-[(2-phenylbenzoyl)amino]propanoate?
The InChIKey is LQBCSRANHANCBZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-3-23-19(22)17(13-24-2)20-18(21)16-12-8-7-11-15(16)14-9-5-4-6-10-14/h4-12,17H,3,13H2,1-2H3,(H,20,21)/t17-/m0/s1.
What are the key properties of ethyl (2R)-3-methylsulfanyl-2-[(2-phenylbenzoyl)amino]propanoate?
ethyl (2R)-3-methylsulfanyl-2-[(2-phenylbenzoyl)amino]propanoate has a molecular weight of 343.45 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-3-methylsulfanyl-2-[(2-phenylbenzoyl)amino]propanoate is sourced from PubChem (CID 67365397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).