(2R)-2-[(2-phenoxyphenyl)methylsulfonyl]propanamide

C16H17NO4S — CID 94087991

IUPAC(2R)-2-[(2-phenoxyphenyl)methylsulfonyl]propanamide
SMILESC[C@H](C(N)=O)S(=O)(=O)Cc1ccccc1Oc1ccccc1
InChIInChI=1S/C16H17NO4S/c1-12(16(17)18)22(19,20)11-13-7-5-6-10-15(13)21-14-8-3-2-4-9-14/h2-10,12H,11H2,1H3,(H2,17,18)/t12-/m1/s1
InChIKeyRSSIQNCVEFLQPQ-GFCCVEGCSA-N
MW319.38 g/mol
LogP2.27
Rot. Bonds6

About (2R)-2-[(2-phenoxyphenyl)methylsulfonyl]propanamide

(2R)-2-[(2-phenoxyphenyl)methylsulfonyl]propanamide (PubChem CID 94087991) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is (2R)-2-[(2-phenoxyphenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(2-phenoxyphenyl)methylsulfonyl]propanamide
PubChem CID94087991
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name(2R)-2-[(2-phenoxyphenyl)methylsulfonyl]propanamide
SMILESC[C@H](C(N)=O)S(=O)(=O)Cc1ccccc1Oc1ccccc1
InChIInChI=1S/C16H17NO4S/c1-12(16(17)18)22(19,20)11-13-7-5-6-10-15(13)21-14-8-3-2-4-9-14/h2-10,12H,11H2,1H3,(H2,17,18)/t12-/m1/s1
InChIKeyRSSIQNCVEFLQPQ-GFCCVEGCSA-N
XLogP2.27
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-amino-2-(2-phenoxyphenyl)ethylidene]azanium
CID 6347179
[(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate
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(2R)-2-(2-methoxyphenoxy)-3-(2-phenoxyphenyl)propanoic acid
CID 100551442
2-(2-methylpropoxy)-3-(2-phenoxyphenyl)propanoic acid
CID 133241431
4-[(2-phenoxyphenyl)methylsulfamoyl]benzamide
CID 86864080
1-(2-phenoxyphenyl)butan-2-amine
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5-[(2-phenoxyphenyl)methylsulfonyl]pentanenitrile
CID 60527948
2-[2-(1-amino-1-oxopropan-2-yl)oxyphenyl]acetic acid
CID 80741605
2-phenoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121319
1-methyl-1-[(2-phenoxyphenyl)methyl]guanidine
CID 121451349
2-phenoxybenzoic acid;propan-2-ol
CID 159883753
(2-phenoxyphenyl)methyl 2-hydroxybenzoate
CID 7890581

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-phenoxyphenyl)methylsulfonyl]propanamide?
The IUPAC name of (2R)-2-[(2-phenoxyphenyl)methylsulfonyl]propanamide (CID 94087991) is (2R)-2-[(2-phenoxyphenyl)methylsulfonyl]propanamide.
What is the SMILES notation for (2R)-2-[(2-phenoxyphenyl)methylsulfonyl]propanamide?
The canonical SMILES for (2R)-2-[(2-phenoxyphenyl)methylsulfonyl]propanamide is C[C@H](C(N)=O)S(=O)(=O)Cc1ccccc1Oc1ccccc1.
What is the InChIKey of (2R)-2-[(2-phenoxyphenyl)methylsulfonyl]propanamide?
The InChIKey is RSSIQNCVEFLQPQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-12(16(17)18)22(19,20)11-13-7-5-6-10-15(13)21-14-8-3-2-4-9-14/h2-10,12H,11H2,1H3,(H2,17,18)/t12-/m1/s1.
What are the key properties of (2R)-2-[(2-phenoxyphenyl)methylsulfonyl]propanamide?
(2R)-2-[(2-phenoxyphenyl)methylsulfonyl]propanamide has a molecular weight of 319.38 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-phenoxyphenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 94087991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).