2-amino-4-methylsulfonyl-N-(4-propan-2-yloxyphenyl)butanamide

C14H22N2O4S — CID 43123167

IUPAC2-amino-4-methylsulfonyl-N-(4-propan-2-yloxyphenyl)butanamide
SMILESCC(C)Oc1ccc(NC(=O)C(N)CCS(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O4S/c1-10(2)20-12-6-4-11(5-7-12)16-14(17)13(15)8-9-21(3,18)19/h4-7,10,13H,8-9,15H2,1-3H3,(H,16,17)
InChIKeyRXLNIOMXDSWYHJ-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.17
Rot. Bonds7

About 2-amino-4-methylsulfonyl-N-(4-propan-2-yloxyphenyl)butanamide

2-amino-4-methylsulfonyl-N-(4-propan-2-yloxyphenyl)butanamide (PubChem CID 43123167) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-amino-4-methylsulfonyl-N-(4-propan-2-yloxyphenyl)butanamide.

Molecular Properties

Compound Name2-amino-4-methylsulfonyl-N-(4-propan-2-yloxyphenyl)butanamide
PubChem CID43123167
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-amino-4-methylsulfonyl-N-(4-propan-2-yloxyphenyl)butanamide
SMILESCC(C)Oc1ccc(NC(=O)C(N)CCS(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O4S/c1-10(2)20-12-6-4-11(5-7-12)16-14(17)13(15)8-9-21(3,18)19/h4-7,10,13H,8-9,15H2,1-3H3,(H,16,17)
InChIKeyRXLNIOMXDSWYHJ-UHFFFAOYSA-N
XLogP1.17
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(4-propan-2-yloxyphenyl)pentanamide;hydrochloride
CID 119280465
N-(4-acetamidophenyl)-2-amino-4-methylsulfonylbutanamide
CID 43109034
(2S)-2-amino-4-methyl-N-(4-propan-2-yloxyphenyl)pentanamide
CID 22691065
4-[(2-amino-4-methylsulfonylbutanoyl)amino]-N-methylbenzamide
CID 43702745
2-amino-N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119956798
2-amino-3-methyl-N-(4-propan-2-yloxyphenyl)butanamide;hydrochloride
CID 119280468
2-amino-N-(3-methoxyphenyl)-4-methylsulfonylbutanamide
CID 24711240
2-amino-N-[2-(4-methylphenoxy)propyl]-4-methylsulfonylbutanamide
CID 119956607
2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methylsulfonylbutanamide
CID 119956272
(2R)-2-hydroxy-N-(4-propan-2-yloxyphenyl)propanamide
CID 94684359
2-amino-3,3-dimethyl-N-(4-propan-2-yloxyphenyl)butanamide
CID 76892558
2-amino-N-(3,5-dimethylphenyl)-4-methylsulfonylbutanamide
CID 24702867

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfonyl-N-(4-propan-2-yloxyphenyl)butanamide?
The IUPAC name of 2-amino-4-methylsulfonyl-N-(4-propan-2-yloxyphenyl)butanamide (CID 43123167) is 2-amino-4-methylsulfonyl-N-(4-propan-2-yloxyphenyl)butanamide.
What is the SMILES notation for 2-amino-4-methylsulfonyl-N-(4-propan-2-yloxyphenyl)butanamide?
The canonical SMILES for 2-amino-4-methylsulfonyl-N-(4-propan-2-yloxyphenyl)butanamide is CC(C)Oc1ccc(NC(=O)C(N)CCS(C)(=O)=O)cc1.
What is the InChIKey of 2-amino-4-methylsulfonyl-N-(4-propan-2-yloxyphenyl)butanamide?
The InChIKey is RXLNIOMXDSWYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-10(2)20-12-6-4-11(5-7-12)16-14(17)13(15)8-9-21(3,18)19/h4-7,10,13H,8-9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-4-methylsulfonyl-N-(4-propan-2-yloxyphenyl)butanamide?
2-amino-4-methylsulfonyl-N-(4-propan-2-yloxyphenyl)butanamide has a molecular weight of 314.41 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfonyl-N-(4-propan-2-yloxyphenyl)butanamide is sourced from PubChem (CID 43123167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).