3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide

C16H17NO2S — CID 134917603

IUPAC3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide
SMILESNC(=O)C(Sc1ccccc1)C(O)Cc1ccccc1
InChIInChI=1S/C16H17NO2S/c17-16(19)15(20-13-9-5-2-6-10-13)14(18)11-12-7-3-1-4-8-12/h1-10,14-15,18H,11H2,(H2,17,19)
InChIKeyIOEGMKDIWXEHMN-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.24
Rot. Bonds6

About 3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide

3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide (PubChem CID 134917603) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide.

Molecular Properties

Compound Name3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide
PubChem CID134917603
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide
SMILESNC(=O)C(Sc1ccccc1)C(O)Cc1ccccc1
InChIInChI=1S/C16H17NO2S/c17-16(19)15(20-13-9-5-2-6-10-13)14(18)11-12-7-3-1-4-8-12/h1-10,14-15,18H,11H2,(H2,17,19)
InChIKeyIOEGMKDIWXEHMN-UHFFFAOYSA-N
XLogP2.24
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11161977
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N-benzyl-3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide
CID 134917693
3-(3-fluorophenyl)-3-hydroxy-N-(2-phenylsulfanylethyl)propanamide
CID 109630204
3-(3-fluorophenyl)-3-hydroxy-N-(2-phenylsulfanylpropyl)propanamide
CID 109635069
3-(3-fluorophenyl)-3-hydroxy-N-(3-phenylsulfanylpropyl)propanamide
CID 109952773
N-[3-(4-fluorophenyl)sulfanylpropyl]-3-hydroxy-3-phenylpropanamide
CID 109952787
5-(Benzenesulfonyl)-7-hydroxy-2-methyl-9-phenylnonanamide
CID 23439313
5-Hydroxy-5-[3-[(1-hydroxycyclohexyl)methylsulfanyl]phenyl]pentanamide
CID 67135102
4-hydroxy-4H-thiochromene-3-carboxamide
CID 67351252
6-[4-(1-Hydroxyethyl)phenyl]sulfanylhexanamide
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2-(4-Ethylsulfanylphenyl)acetamide;2-(4-ethylsulfanylphenyl)acetic acid
CID 69767844

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide?
The IUPAC name of 3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide (CID 134917603) is 3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide.
What is the SMILES notation for 3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide?
The canonical SMILES for 3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide is NC(=O)C(Sc1ccccc1)C(O)Cc1ccccc1.
What is the InChIKey of 3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide?
The InChIKey is IOEGMKDIWXEHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c17-16(19)15(20-13-9-5-2-6-10-13)14(18)11-12-7-3-1-4-8-12/h1-10,14-15,18H,11H2,(H2,17,19).
What are the key properties of 3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide?
3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide has a molecular weight of 287.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-phenyl-2-phenylsulfanylbutanamide is sourced from PubChem (CID 134917603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).