N-(5-amino-2-methoxyphenyl)-2-(cyclopentylmethylsulfinyl)acetamide

C15H22N2O3S — CID 63119681

IUPACN-(5-amino-2-methoxyphenyl)-2-(cyclopentylmethylsulfinyl)acetamide
SMILESCOc1ccc(N)cc1NC(=O)CS(=O)CC1CCCC1
InChIInChI=1S/C15H22N2O3S/c1-20-14-7-6-12(16)8-13(14)17-15(18)10-21(19)9-11-4-2-3-5-11/h6-8,11H,2-5,9-10,16H2,1H3,(H,17,18)
InChIKeyLKXBKVGACOSRKD-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.15
Rot. Bonds6

About N-(5-amino-2-methoxyphenyl)-2-(cyclopentylmethylsulfinyl)acetamide

N-(5-amino-2-methoxyphenyl)-2-(cyclopentylmethylsulfinyl)acetamide (PubChem CID 63119681) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-2-(cyclopentylmethylsulfinyl)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-2-(cyclopentylmethylsulfinyl)acetamide
PubChem CID63119681
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(5-amino-2-methoxyphenyl)-2-(cyclopentylmethylsulfinyl)acetamide
SMILESCOc1ccc(N)cc1NC(=O)CS(=O)CC1CCCC1
InChIInChI=1S/C15H22N2O3S/c1-20-14-7-6-12(16)8-13(14)17-15(18)10-21(19)9-11-4-2-3-5-11/h6-8,11H,2-5,9-10,16H2,1H3,(H,17,18)
InChIKeyLKXBKVGACOSRKD-UHFFFAOYSA-N
XLogP2.15
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-chlorophenyl)-2-(cyclopentylmethylsulfinyl)acetamide
CID 63119546
N-(5-amino-2-methoxyphenyl)-2-(2-methylbutylsulfinyl)acetamide
CID 107753805
N-(5-amino-2-methoxyphenyl)cyclohexanecarboxamide
CID 16773964
N-(5-amino-2-methoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 16782750
N-(5-amino-2-methoxyphenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide
CID 60984755
N-(5-amino-2-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 63950896
N-(5-amino-2-methoxyphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62918714
N-(5-amino-2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 16784173
N-(5-amino-2-methoxyphenyl)-2-[cyclopropylmethyl(methyl)amino]propanamide
CID 60984612
1-[2-(5-amino-2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43212131
N-(5-amino-2-methoxyphenyl)-4,4-dimethyl-3-oxopentanamide
CID 15475907
N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)acetamide
CID 54936528

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-2-(cyclopentylmethylsulfinyl)acetamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-2-(cyclopentylmethylsulfinyl)acetamide (CID 63119681) is N-(5-amino-2-methoxyphenyl)-2-(cyclopentylmethylsulfinyl)acetamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-2-(cyclopentylmethylsulfinyl)acetamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-2-(cyclopentylmethylsulfinyl)acetamide is COc1ccc(N)cc1NC(=O)CS(=O)CC1CCCC1.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-2-(cyclopentylmethylsulfinyl)acetamide?
The InChIKey is LKXBKVGACOSRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-20-14-7-6-12(16)8-13(14)17-15(18)10-21(19)9-11-4-2-3-5-11/h6-8,11H,2-5,9-10,16H2,1H3,(H,17,18).
What are the key properties of N-(5-amino-2-methoxyphenyl)-2-(cyclopentylmethylsulfinyl)acetamide?
N-(5-amino-2-methoxyphenyl)-2-(cyclopentylmethylsulfinyl)acetamide has a molecular weight of 310.42 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-2-(cyclopentylmethylsulfinyl)acetamide is sourced from PubChem (CID 63119681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).