(2R,3R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylbutanamide

C13H20N2O4S — CID 154238727

IUPAC(2R,3R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylbutanamide
SMILESCCCc1ccc(S(=O)(=O)[C@@](N)(C(N)=O)[C@@H](C)O)cc1
InChIInChI=1S/C13H20N2O4S/c1-3-4-10-5-7-11(8-6-10)20(18,19)13(15,9(2)16)12(14)17/h5-9,16H,3-4,15H2,1-2H3,(H2,14,17)/t9-,13-/m1/s1
InChIKeyKNUYIHUTYBUJMR-NOZJJQNGSA-N
MW300.38 g/mol
LogP-0.07
Rot. Bonds6

About (2R,3R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylbutanamide

(2R,3R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylbutanamide (PubChem CID 154238727) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is (2R,3R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylbutanamide.

Molecular Properties

Compound Name(2R,3R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylbutanamide
PubChem CID154238727
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name(2R,3R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylbutanamide
SMILESCCCc1ccc(S(=O)(=O)[C@@](N)(C(N)=O)[C@@H](C)O)cc1
InChIInChI=1S/C13H20N2O4S/c1-3-4-10-5-7-11(8-6-10)20(18,19)13(15,9(2)16)12(14)17/h5-9,16H,3-4,15H2,1-2H3,(H2,14,17)/t9-,13-/m1/s1
InChIKeyKNUYIHUTYBUJMR-NOZJJQNGSA-N
XLogP-0.07
TPSA123.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butylsulfonyl-4-propylbenzene
CID 20680785
N-(2-hydroxypropyl)-4-propylbenzenesulfonamide
CID 3391675
N-[2-(2-hydroxypropylamino)ethyl]-4-propylbenzenesulfonamide
CID 104594124
3-[ethyl-(4-propylphenyl)sulfonylamino]butanoic acid
CID 62827439
3-[(4-propylphenyl)sulfonylamino]butanethioamide
CID 62093347
2-amino-2-(4-propylphenyl)acetamide
CID 116850738
2-[(4-propylphenyl)sulfonylamino]ethanethioamide
CID 61127492
butan-2-yl 4-propylbenzenesulfonate
CID 139720076
N-(2-methylbutan-2-yl)-4-propylbenzenesulfonamide
CID 19682071
2-methyl-1-(4-propylphenyl)propan-1-one
CID 14770313
N-iodo-4-propylbenzenesulfonamide
CID 143564822
N-(2-ethylbutyl)-4-propylbenzenesulfonamide
CID 115613302

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylbutanamide?
The IUPAC name of (2R,3R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylbutanamide (CID 154238727) is (2R,3R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylbutanamide.
What is the SMILES notation for (2R,3R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylbutanamide?
The canonical SMILES for (2R,3R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylbutanamide is CCCc1ccc(S(=O)(=O)[C@@](N)(C(N)=O)[C@@H](C)O)cc1.
What is the InChIKey of (2R,3R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylbutanamide?
The InChIKey is KNUYIHUTYBUJMR-NOZJJQNGSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-3-4-10-5-7-11(8-6-10)20(18,19)13(15,9(2)16)12(14)17/h5-9,16H,3-4,15H2,1-2H3,(H2,14,17)/t9-,13-/m1/s1.
What are the key properties of (2R,3R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylbutanamide?
(2R,3R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylbutanamide has a molecular weight of 300.38 g/mol, XLogP of -0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-amino-3-hydroxy-2-(4-propylphenyl)sulfonylbutanamide is sourced from PubChem (CID 154238727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).