(3R)-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methyl-3-phenylpentanamide

C21H27NO4S — CID 124850886

IUPAC(3R)-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methyl-3-phenylpentanamide
SMILESCC(C)[C@@H](CC(=O)NCc1ccc(S(=O)(=O)CCO)cc1)c1ccccc1
InChIInChI=1S/C21H27NO4S/c1-16(2)20(18-6-4-3-5-7-18)14-21(24)22-15-17-8-10-19(11-9-17)27(25,26)13-12-23/h3-11,16,20,23H,12-15H2,1-2H3,(H,22,24)/t20-/m1/s1
InChIKeyRGEXJFIEEYUOOO-HXUWFJFHSA-N
MW389.52 g/mol
LogP2.90
Rot. Bonds9

About (3R)-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methyl-3-phenylpentanamide

(3R)-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methyl-3-phenylpentanamide (PubChem CID 124850886) has the molecular formula C21H27NO4S and a molecular weight of 389.52 g/mol. Its IUPAC name is (3R)-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methyl-3-phenylpentanamide.

Molecular Properties

Compound Name(3R)-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methyl-3-phenylpentanamide
PubChem CID124850886
Molecular FormulaC21H27NO4S
Molecular Weight389.52 g/mol
Exact Mass389.17
IUPAC Name(3R)-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methyl-3-phenylpentanamide
SMILESCC(C)[C@@H](CC(=O)NCc1ccc(S(=O)(=O)CCO)cc1)c1ccccc1
InChIInChI=1S/C21H27NO4S/c1-16(2)20(18-6-4-3-5-7-18)14-21(24)22-15-17-8-10-19(11-9-17)27(25,26)13-12-23/h3-11,16,20,23H,12-15H2,1-2H3,(H,22,24)/t20-/m1/s1
InChIKeyRGEXJFIEEYUOOO-HXUWFJFHSA-N
XLogP2.90
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-3-methyl-3-phenylbutanamide
CID 91652928
4-ethyl-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]benzamide
CID 119048571
N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methylbenzamide
CID 119048599
2-methyl-3-[(4-methyl-3-phenylpentanoyl)amino]propanoic acid
CID 75513474
N-[3-(4-hydroxyphenyl)propyl]-4-methyl-3-phenylpentanamide
CID 86972858
N-[(2,5-dimethylfuran-3-yl)methyl]-4-methyl-3-phenylpentanamide
CID 86950294
N-[(2R)-2-(ethylamino)propyl]-4-methyl-3-phenylpentanamide
CID 120654213
N,N-dimethyl-4-[(3-phenylbutanoylamino)methyl]benzamide
CID 134039082
N-hydroxy-4-[(3-phenylbutanoylamino)methyl]benzamide
CID 11209167
2-[2-(benzenesulfonyl)ethylsulfanyl]-N-benzylacetamide
CID 2819433
3-acetamido-3-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 55466203
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-phenylbutanamide
CID 78810531

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methyl-3-phenylpentanamide?
The IUPAC name of (3R)-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methyl-3-phenylpentanamide (CID 124850886) is (3R)-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methyl-3-phenylpentanamide.
What is the SMILES notation for (3R)-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methyl-3-phenylpentanamide?
The canonical SMILES for (3R)-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methyl-3-phenylpentanamide is CC(C)[C@@H](CC(=O)NCc1ccc(S(=O)(=O)CCO)cc1)c1ccccc1.
What is the InChIKey of (3R)-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methyl-3-phenylpentanamide?
The InChIKey is RGEXJFIEEYUOOO-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H27NO4S/c1-16(2)20(18-6-4-3-5-7-18)14-21(24)22-15-17-8-10-19(11-9-17)27(25,26)13-12-23/h3-11,16,20,23H,12-15H2,1-2H3,(H,22,24)/t20-/m1/s1.
What are the key properties of (3R)-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methyl-3-phenylpentanamide?
(3R)-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methyl-3-phenylpentanamide has a molecular weight of 389.52 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methyl-3-phenylpentanamide is sourced from PubChem (CID 124850886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).