(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(methanesulfonamido)-3-phenylmethoxypropanamide

C20H26N2O5S — CID 10763868

IUPAC(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(methanesulfonamido)-3-phenylmethoxypropanamide
SMILESCS(=O)(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C20H26N2O5S/c1-28(25,26)22-19(15-27-14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,18-19,22-23H,12-15H2,1H3,(H,21,24)/t18-,19-/m0/s1
InChIKeyGIWZXNSNBQILDF-OALUTQOASA-N
MW406.50 g/mol
LogP0.84
Rot. Bonds11

About (2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(methanesulfonamido)-3-phenylmethoxypropanamide

(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(methanesulfonamido)-3-phenylmethoxypropanamide (PubChem CID 10763868) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(methanesulfonamido)-3-phenylmethoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(methanesulfonamido)-3-phenylmethoxypropanamide
PubChem CID10763868
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(methanesulfonamido)-3-phenylmethoxypropanamide
SMILESCS(=O)(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C20H26N2O5S/c1-28(25,26)22-19(15-27-14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,18-19,22-23H,12-15H2,1H3,(H,21,24)/t18-,19-/m0/s1
InChIKeyGIWZXNSNBQILDF-OALUTQOASA-N
XLogP0.84
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(methanesulfonamido)-3-phenylmethoxypropanamide 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

(2R)-2-(ethylsulfonylamino)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-phenylmethoxypropanamide
CID 10812084
(2R)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(methanesulfonamido)-2-phenylacetamide
CID 10713679
2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfonylbutanamide
CID 107860995
methyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate
CID 23559272
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
tert-butyl N-[(2S)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 15929386
methyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoyl]amino]-3-phenylpropanoate
CID 10695122
methyl (2S)-2-benzamido-3-phenylmethoxypropanoate
CID 10870709
(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpent-4-enamide
CID 10857796
chloromethyl (2S)-2-(methanesulfonamido)-3-phenylpropanoate
CID 174358903
(2R)-2-(benzylsulfonylamino)-3-phenylmethoxypropanoic acid
CID 11163898
3,3-dimethyl-2-(phenylmethoxymethyl)butan-1-ol;methanesulfonic acid
CID 71342429

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(methanesulfonamido)-3-phenylmethoxypropanamide?
The IUPAC name of (2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(methanesulfonamido)-3-phenylmethoxypropanamide (CID 10763868) is (2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(methanesulfonamido)-3-phenylmethoxypropanamide.
What is the SMILES notation for (2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(methanesulfonamido)-3-phenylmethoxypropanamide?
The canonical SMILES for (2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(methanesulfonamido)-3-phenylmethoxypropanamide is CS(=O)(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of (2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(methanesulfonamido)-3-phenylmethoxypropanamide?
The InChIKey is GIWZXNSNBQILDF-OALUTQOASA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-28(25,26)22-19(15-27-14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,18-19,22-23H,12-15H2,1H3,(H,21,24)/t18-,19-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(methanesulfonamido)-3-phenylmethoxypropanamide?
(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(methanesulfonamido)-3-phenylmethoxypropanamide has a molecular weight of 406.50 g/mol, XLogP of 0.84, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(methanesulfonamido)-3-phenylmethoxypropanamide is sourced from PubChem (CID 10763868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).