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

C21H28N2O5S — CID 10812084

IUPAC(2R)-2-(ethylsulfonylamino)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-phenylmethoxypropanamide
SMILESCCS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C21H28N2O5S/c1-2-29(26,27)23-20(16-28-15-18-11-7-4-8-12-18)21(25)22-19(14-24)13-17-9-5-3-6-10-17/h3-12,19-20,23-24H,2,13-16H2,1H3,(H,22,25)/t19-,20+/m0/s1
InChIKeyDKNLXBOAFWXFCO-VQTJNVASSA-N
MW420.53 g/mol
LogP1.23
Rot. Bonds12

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

(2R)-2-(ethylsulfonylamino)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-phenylmethoxypropanamide (PubChem CID 10812084) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is (2R)-2-(ethylsulfonylamino)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-phenylmethoxypropanamide.

Molecular Properties

Compound Name(2R)-2-(ethylsulfonylamino)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-phenylmethoxypropanamide
PubChem CID10812084
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC Name(2R)-2-(ethylsulfonylamino)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-phenylmethoxypropanamide
SMILESCCS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C21H28N2O5S/c1-2-29(26,27)23-20(16-28-15-18-11-7-4-8-12-18)21(25)22-19(14-24)13-17-9-5-3-6-10-17/h3-12,19-20,23-24H,2,13-16H2,1H3,(H,22,25)/t19-,20+/m0/s1
InChIKeyDKNLXBOAFWXFCO-VQTJNVASSA-N
XLogP1.23
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(methanesulfonamido)-3-phenylmethoxypropanamide
CID 10763868
(2R)-2-(benzylsulfonylamino)-3-phenylmethoxypropanoic acid
CID 11163898
methyl (2S)-2-benzamido-3-phenylmethoxypropanoate
CID 10870709
methyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate
CID 23559272
2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfonylbutanamide
CID 107860995
(2R)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(methanesulfonamido)-2-phenylacetamide
CID 10713679
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
benzyl (3R)-3-(butoxycarbonylamino)-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobutanoate
CID 54211161
2-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
CID 55168822
3-ethoxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 107861315
N-cyclopropyl-2-(ethylsulfonylamino)-3-phenylpropanamide
CID 51107382

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(ethylsulfonylamino)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-phenylmethoxypropanamide?
The IUPAC name of (2R)-2-(ethylsulfonylamino)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-phenylmethoxypropanamide (CID 10812084) is (2R)-2-(ethylsulfonylamino)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-phenylmethoxypropanamide.
What is the SMILES notation for (2R)-2-(ethylsulfonylamino)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-phenylmethoxypropanamide?
The canonical SMILES for (2R)-2-(ethylsulfonylamino)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-phenylmethoxypropanamide is CCS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of (2R)-2-(ethylsulfonylamino)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-phenylmethoxypropanamide?
The InChIKey is DKNLXBOAFWXFCO-VQTJNVASSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-2-29(26,27)23-20(16-28-15-18-11-7-4-8-12-18)21(25)22-19(14-24)13-17-9-5-3-6-10-17/h3-12,19-20,23-24H,2,13-16H2,1H3,(H,22,25)/t19-,20+/m0/s1.
What are the key properties of (2R)-2-(ethylsulfonylamino)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-phenylmethoxypropanamide?
(2R)-2-(ethylsulfonylamino)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-phenylmethoxypropanamide has a molecular weight of 420.53 g/mol, XLogP of 1.23, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(ethylsulfonylamino)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-phenylmethoxypropanamide is sourced from PubChem (CID 10812084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).