[(2R)-1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl] 3-(carbamoylamino)propanoate

C19H21N3O4S — CID 8955477

IUPAC[(2R)-1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl] 3-(carbamoylamino)propanoate
SMILESC[C@@H](OC(=O)CCNC(N)=O)C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C19H21N3O4S/c1-13(26-17(23)11-12-21-19(20)25)18(24)22-15-9-5-6-10-16(15)27-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,22,24)(H3,20,21,25)/t13-/m1/s1
InChIKeyFHVCYBJKARERNB-CYBMUJFWSA-N
MW387.46 g/mol
LogP2.77
Rot. Bonds8

About [(2R)-1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl] 3-(carbamoylamino)propanoate

[(2R)-1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl] 3-(carbamoylamino)propanoate (PubChem CID 8955477) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl] 3-(carbamoylamino)propanoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl] 3-(carbamoylamino)propanoate
PubChem CID8955477
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name[(2R)-1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl] 3-(carbamoylamino)propanoate
SMILESC[C@@H](OC(=O)CCNC(N)=O)C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C19H21N3O4S/c1-13(26-17(23)11-12-21-19(20)25)18(24)22-15-9-5-6-10-16(15)27-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,22,24)(H3,20,21,25)/t13-/m1/s1
InChIKeyFHVCYBJKARERNB-CYBMUJFWSA-N
XLogP2.77
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl] 3-(carbamoylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 3-(carbamoylamino)propanoate
CID 8641965
[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 6-(carbamoylamino)hexanoate
CID 9308291
(2S)-2-amino-3-methyl-N-(2-phenylsulfanylphenyl)butanamide
CID 61254196
[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 3-(carbamoylamino)propanoate
CID 8642054
[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 3-acetamidopropanoate
CID 2435272
[(2S)-1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl] 6-chloropyridine-3-carboxylate
CID 51549148
N-(2-acetamidoethyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515229
2-amino-N-(2-phenylsulfanylphenyl)pentanamide
CID 61253814
(1-anilino-1-oxopropan-2-yl) 3-[(2-phenylacetyl)amino]propanoate
CID 46695851
[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-(carbamoylamino)propanoate
CID 8955391
2,2-dichloro-N-(2-phenylsulfanylphenyl)acetamide
CID 4053686
N-[3-oxo-3-(2-phenylsulfanylanilino)propyl]benzamide
CID 17154606

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl] 3-(carbamoylamino)propanoate?
The IUPAC name of [(2R)-1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl] 3-(carbamoylamino)propanoate (CID 8955477) is [(2R)-1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl] 3-(carbamoylamino)propanoate.
What is the SMILES notation for [(2R)-1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl] 3-(carbamoylamino)propanoate?
The canonical SMILES for [(2R)-1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl] 3-(carbamoylamino)propanoate is C[C@@H](OC(=O)CCNC(N)=O)C(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of [(2R)-1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl] 3-(carbamoylamino)propanoate?
The InChIKey is FHVCYBJKARERNB-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-13(26-17(23)11-12-21-19(20)25)18(24)22-15-9-5-6-10-16(15)27-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,22,24)(H3,20,21,25)/t13-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl] 3-(carbamoylamino)propanoate?
[(2R)-1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl] 3-(carbamoylamino)propanoate has a molecular weight of 387.46 g/mol, XLogP of 2.77, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(2-phenylsulfanylanilino)propan-2-yl] 3-(carbamoylamino)propanoate is sourced from PubChem (CID 8955477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).