N-[(2S)-1-[[(2R)-1-benzylsulfanyl-3-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide

C24H29N3O4S — CID 5287870

IUPACN-[(2S)-1-[[(2R)-1-benzylsulfanyl-3-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
SMILESO=C[C@H](CSCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1
InChIInChI=1S/C24H29N3O4S/c28-16-21(18-32-17-20-9-5-2-6-10-20)25-23(29)22(15-19-7-3-1-4-8-19)26-24(30)27-11-13-31-14-12-27/h1-10,16,21-22H,11-15,17-18H2,(H,25,29)(H,26,30)/t21-,22+/m1/s1
InChIKeyMWTQNXVXPLTHJB-YADHBBJMSA-N
MW455.58 g/mol
LogP2.26
Rot. Bonds10

About N-[(2S)-1-[[(2R)-1-benzylsulfanyl-3-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide

N-[(2S)-1-[[(2R)-1-benzylsulfanyl-3-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide (PubChem CID 5287870) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is N-[(2S)-1-[[(2R)-1-benzylsulfanyl-3-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(2R)-1-benzylsulfanyl-3-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
PubChem CID5287870
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC NameN-[(2S)-1-[[(2R)-1-benzylsulfanyl-3-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
SMILESO=C[C@H](CSCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1
InChIInChI=1S/C24H29N3O4S/c28-16-21(18-32-17-20-9-5-2-6-10-20)25-23(29)22(15-19-7-3-1-4-8-19)26-24(30)27-11-13-31-14-12-27/h1-10,16,21-22H,11-15,17-18H2,(H,25,29)(H,26,30)/t21-,22+/m1/s1
InChIKeyMWTQNXVXPLTHJB-YADHBBJMSA-N
XLogP2.26
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[(2S)-1-[[(2R)-1-benzylsulfanyl-3-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide 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

N-[(1S)-1-[[(E,1S)-3-(benzenesulfonyl)-1-phenethyl-allyl]carbamoyl]-3-methyl-butyl]morpholine-4-carboxamide
CID 5287864
Morpholine-4-Carboxylic Acid (1-(3-Benzenesulfonyl-1-Phenethylallylcarbamoyl)-3-Methylbutyl)-Amide
CID 23648296
CID 9829299
CID 9829299
4-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-4-phenylbutan-2-yl]amino]-3-phenylpropan-2-yl]piperazine-1-carboxamide
CID 88076400
GW42I0S4HD
CID 154572904
N-[3-(4-morpholinyl)propyl]-2-phenyl-2-(phenylthio)acetamide
CID 2862865
(S)-2-(N-(Morpholinocarbonyl)leucyl)amino-4-phenylbutanal
CID 10340297
Morpholine-4-carboxylic acid [1-(1-cyano-3-phenyl-propylcarbamoyl)-2-phenyl-ethyl]-amide
CID 10927935
N-[(8S,11S,15R)-8,11-dibenzyl-6,9,12,16-tetraoxo-1,4-dioxa-13-thia-7,10,17-triazacyclononadec-15-yl]acetamide
CID 155514434
N~2~-(Morpholin-4-Ylcarbonyl)-N-[(3s)-1-Phenyl-5-(Phenylsulfonyl)pentan-3-Yl]-L-Leucinamide
CID 23585984
N-((S)-1-((S)-4-(tert-butylthio)-3-oxo-1-phenylbutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl)morpholine-4-carboxamide
CID 10864154
N-((S)-1-((S)-4-(tert-butylthio)-3-oxo-1-phenylbutan-2-ylamino)-4-methyl-1-oxopentan-2-yl)morpholine-4-carboxamide
CID 10874460

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2R)-1-benzylsulfanyl-3-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-1-[[(2R)-1-benzylsulfanyl-3-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide (CID 5287870) is N-[(2S)-1-[[(2R)-1-benzylsulfanyl-3-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(2R)-1-benzylsulfanyl-3-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(2R)-1-benzylsulfanyl-3-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide is O=C[C@H](CSCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1.
What is the InChIKey of N-[(2S)-1-[[(2R)-1-benzylsulfanyl-3-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide?
The InChIKey is MWTQNXVXPLTHJB-YADHBBJMSA-N. The full InChI is InChI=1S/C24H29N3O4S/c28-16-21(18-32-17-20-9-5-2-6-10-20)25-23(29)22(15-19-7-3-1-4-8-19)26-24(30)27-11-13-31-14-12-27/h1-10,16,21-22H,11-15,17-18H2,(H,25,29)(H,26,30)/t21-,22+/m1/s1.
What are the key properties of N-[(2S)-1-[[(2R)-1-benzylsulfanyl-3-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide?
N-[(2S)-1-[[(2R)-1-benzylsulfanyl-3-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide has a molecular weight of 455.58 g/mol, XLogP of 2.26, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(2R)-1-benzylsulfanyl-3-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 5287870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).