3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]propanamide

C18H21NO4S — CID 97038586

IUPAC3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCC[C@H](O)c1ccccc1
InChIInChI=1S/C18H21NO4S/c20-17(15-7-3-1-4-8-15)11-13-19-18(21)12-14-24(22,23)16-9-5-2-6-10-16/h1-10,17,20H,11-14H2,(H,19,21)/t17-/m0/s1
InChIKeyZKDNKMMRXDSOOL-KRWDZBQOSA-N
MW347.44 g/mol
LogP2.09
Rot. Bonds8

About 3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]propanamide

3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]propanamide (PubChem CID 97038586) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]propanamide
PubChem CID97038586
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCC[C@H](O)c1ccccc1
InChIInChI=1S/C18H21NO4S/c20-17(15-7-3-1-4-8-15)11-13-19-18(21)12-14-24(22,23)16-9-5-2-6-10-16/h1-10,17,20H,11-14H2,(H,19,21)/t17-/m0/s1
InChIKeyZKDNKMMRXDSOOL-KRWDZBQOSA-N
XLogP2.09
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-2-(4-(isopropylsulfonyl)phenyl)acetamide
CID 56765470
N-(2-hydroxy-2-(naphthalen-1-yl)ethyl)-3-(phenylsulfonyl)propanamide
CID 56764132
N-(2-cyclohexyl-2-hydroxyethyl)-3-(phenylsulfonyl)propanamide
CID 56764312
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)-3-(phenylsulfonyl)propanamide
CID 71782165
N-(3-hydroxy-3-phenylpropyl)-2-(4-(isopropylthio)phenyl)acetamide
CID 71782259
2-(benzylthio)-N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)acetamide
CID 71803813
N-(3-hydroxy-3-(thiophen-3-yl)propyl)-3-(phenylsulfonyl)propanamide
CID 86264113
N-[(R)-2-(4-biphenylyl)-2-hydroxypropyl]3-(phenylsulfonyl)propionamide
CID 96351481
N-[(R)-2-hydroxy-2-[p-(methylthio)phenyl]ethyl]3-(phenylthio)propionamide
CID 97416856
N-[(R)-2-hydroxy-2-[p-(methylthio)phenyl]ethyl]-1-mesyl-4-piperidinecarboxamide
CID 97416884
N-[(R)-2-methoxy-2-(o-tolyl)ethyl]3-(phenylsulfonyl)propionamide
CID 97553626
N-[(S)-3-hydroxy-3-(tetrahydro-4H-pyran-4-yl)propyl]3-(phenylsulfonyl)propionamide
CID 99996763

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]propanamide (CID 97038586) is 3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)NCC[C@H](O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]propanamide?
The InChIKey is ZKDNKMMRXDSOOL-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21NO4S/c20-17(15-7-3-1-4-8-15)11-13-19-18(21)12-14-24(22,23)16-9-5-2-6-10-16/h1-10,17,20H,11-14H2,(H,19,21)/t17-/m0/s1.
What are the key properties of 3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]propanamide?
3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]propanamide has a molecular weight of 347.44 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]propanamide is sourced from PubChem (CID 97038586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).