2-amino-N-(3-benzyl-4-methoxyphenyl)-4-methylsulfonylbutanamide

C19H24N2O4S — CID 119956209

IUPAC2-amino-N-(3-benzyl-4-methoxyphenyl)-4-methylsulfonylbutanamide
SMILESCOc1ccc(NC(=O)C(N)CCS(C)(=O)=O)cc1Cc1ccccc1
InChIInChI=1S/C19H24N2O4S/c1-25-18-9-8-16(13-15(18)12-14-6-4-3-5-7-14)21-19(22)17(20)10-11-26(2,23)24/h3-9,13,17H,10-12,20H2,1-2H3,(H,21,22)
InChIKeyJKYLQIYMFNMXKC-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.99
Rot. Bonds8

About 2-amino-N-(3-benzyl-4-methoxyphenyl)-4-methylsulfonylbutanamide

2-amino-N-(3-benzyl-4-methoxyphenyl)-4-methylsulfonylbutanamide (PubChem CID 119956209) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-amino-N-(3-benzyl-4-methoxyphenyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(3-benzyl-4-methoxyphenyl)-4-methylsulfonylbutanamide
PubChem CID119956209
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name2-amino-N-(3-benzyl-4-methoxyphenyl)-4-methylsulfonylbutanamide
SMILESCOc1ccc(NC(=O)C(N)CCS(C)(=O)=O)cc1Cc1ccccc1
InChIInChI=1S/C19H24N2O4S/c1-25-18-9-8-16(13-15(18)12-14-6-4-3-5-7-14)21-19(22)17(20)10-11-26(2,23)24/h3-9,13,17H,10-12,20H2,1-2H3,(H,21,22)
InChIKeyJKYLQIYMFNMXKC-UHFFFAOYSA-N
XLogP1.99
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(3-methoxyphenyl)-4-methylsulfonylbutanamide
CID 24711240
N-(3-benzyl-4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27038842
4-amino-N-(3-benzyl-4-methoxyphenyl)butanamide
CID 119274895
N-(3-benzyl-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 27038651
3-amino-N-(3-benzyl-4-methoxyphenyl)pyrazine-2-carboxamide
CID 17443833
N-(4-acetamidophenyl)-2-amino-4-methylsulfonylbutanamide
CID 43109034
N-(3-benzyl-4-methoxyphenyl)-5-sulfamoylthiophene-3-carboxamide
CID 134045577
N-(3-benzyl-4-methoxyphenyl)pentanamide
CID 18128166
1-(3-benzyl-4-methoxyphenyl)-3-(1-hydroxybutan-2-yl)urea
CID 110891041
N-(3-benzyl-4-methoxyphenyl)cyclopentanecarboxamide
CID 27038654
N-(3-benzyl-4-methoxyphenyl)-2-(3-fluorophenyl)acetamide
CID 24571190
2-amino-N-(3-iodophenyl)-4-methylsulfonylbutanamide
CID 43124627

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-benzyl-4-methoxyphenyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(3-benzyl-4-methoxyphenyl)-4-methylsulfonylbutanamide (CID 119956209) is 2-amino-N-(3-benzyl-4-methoxyphenyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(3-benzyl-4-methoxyphenyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(3-benzyl-4-methoxyphenyl)-4-methylsulfonylbutanamide is COc1ccc(NC(=O)C(N)CCS(C)(=O)=O)cc1Cc1ccccc1.
What is the InChIKey of 2-amino-N-(3-benzyl-4-methoxyphenyl)-4-methylsulfonylbutanamide?
The InChIKey is JKYLQIYMFNMXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-25-18-9-8-16(13-15(18)12-14-6-4-3-5-7-14)21-19(22)17(20)10-11-26(2,23)24/h3-9,13,17H,10-12,20H2,1-2H3,(H,21,22).
What are the key properties of 2-amino-N-(3-benzyl-4-methoxyphenyl)-4-methylsulfonylbutanamide?
2-amino-N-(3-benzyl-4-methoxyphenyl)-4-methylsulfonylbutanamide has a molecular weight of 376.48 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-benzyl-4-methoxyphenyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 119956209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).