3-[(2S,3S)-1-hydroxy-3-methyl-1,1-diphenylpentan-2-yl]thiophene-2-sulfonamide

C22H25NO3S2 — CID 140561234

IUPAC3-[(2S,3S)-1-hydroxy-3-methyl-1,1-diphenylpentan-2-yl]thiophene-2-sulfonamide
SMILESCC[C@H](C)[C@@H](c1ccsc1S(N)(=O)=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO3S2/c1-3-16(2)20(19-14-15-27-21(19)28(23,25)26)22(24,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16,20,24H,3H2,1-2H3,(H2,23,25,26)/t16-,20-/m0/s1
InChIKeyHNXLDDUUVNNVRU-JXFKEZNVSA-N
MW415.58 g/mol
LogP4.46
Rot. Bonds7

About 3-[(2S,3S)-1-hydroxy-3-methyl-1,1-diphenylpentan-2-yl]thiophene-2-sulfonamide

3-[(2S,3S)-1-hydroxy-3-methyl-1,1-diphenylpentan-2-yl]thiophene-2-sulfonamide (PubChem CID 140561234) has the molecular formula C22H25NO3S2 and a molecular weight of 415.58 g/mol. Its IUPAC name is 3-[(2S,3S)-1-hydroxy-3-methyl-1,1-diphenylpentan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-[(2S,3S)-1-hydroxy-3-methyl-1,1-diphenylpentan-2-yl]thiophene-2-sulfonamide
PubChem CID140561234
Molecular FormulaC22H25NO3S2
Molecular Weight415.58 g/mol
Exact Mass415.13
IUPAC Name3-[(2S,3S)-1-hydroxy-3-methyl-1,1-diphenylpentan-2-yl]thiophene-2-sulfonamide
SMILESCC[C@H](C)[C@@H](c1ccsc1S(N)(=O)=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO3S2/c1-3-16(2)20(19-14-15-27-21(19)28(23,25)26)22(24,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16,20,24H,3H2,1-2H3,(H2,23,25,26)/t16-,20-/m0/s1
InChIKeyHNXLDDUUVNNVRU-JXFKEZNVSA-N
XLogP4.46
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4S,5S)-3-hydroxy-5-methylheptan-4-yl]thiophene-2-sulfonamide
CID 140561210
3-(2-bromo-1-hydroxyethyl)thiophene-2-sulfonamide
CID 19370784
N-[(2S)-1-amino-3-methyl-1,1-diphenylpentan-2-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 177493441
(2-hydroxy-2-phenylbutyl) sulfamate
CID 88672538
2-amino-1,1-diphenylethanol;2-methylpropane
CID 143904354
2-(aminomethyl)-3-methyl-1,1-diphenylbutan-1-ol
CID 3060406
1-amino-1-phenoxypropan-1-ol;sulfuric acid
CID 68548864
4-amino-3-ethoxy-3-phenylbutan-2-ol
CID 13441348
(2S)-2-amino-N-[(2R)-1-hydroxy-1,1,3-triphenylpropan-2-yl]propanamide
CID 177480073
3-bromo-N-butan-2-yl-N-ethylthiophene-2-sulfonamide
CID 61456147
3-methyl-2-phenylpentan-2-ol
CID 13024634
(3,4-dimethyl-2-phenylhexan-2-yl)benzene
CID 154351099

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3S)-1-hydroxy-3-methyl-1,1-diphenylpentan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 3-[(2S,3S)-1-hydroxy-3-methyl-1,1-diphenylpentan-2-yl]thiophene-2-sulfonamide (CID 140561234) is 3-[(2S,3S)-1-hydroxy-3-methyl-1,1-diphenylpentan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-[(2S,3S)-1-hydroxy-3-methyl-1,1-diphenylpentan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 3-[(2S,3S)-1-hydroxy-3-methyl-1,1-diphenylpentan-2-yl]thiophene-2-sulfonamide is CC[C@H](C)[C@@H](c1ccsc1S(N)(=O)=O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[(2S,3S)-1-hydroxy-3-methyl-1,1-diphenylpentan-2-yl]thiophene-2-sulfonamide?
The InChIKey is HNXLDDUUVNNVRU-JXFKEZNVSA-N. The full InChI is InChI=1S/C22H25NO3S2/c1-3-16(2)20(19-14-15-27-21(19)28(23,25)26)22(24,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16,20,24H,3H2,1-2H3,(H2,23,25,26)/t16-,20-/m0/s1.
What are the key properties of 3-[(2S,3S)-1-hydroxy-3-methyl-1,1-diphenylpentan-2-yl]thiophene-2-sulfonamide?
3-[(2S,3S)-1-hydroxy-3-methyl-1,1-diphenylpentan-2-yl]thiophene-2-sulfonamide has a molecular weight of 415.58 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3S)-1-hydroxy-3-methyl-1,1-diphenylpentan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 140561234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).