N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfinylacetamide

C15H16N2O3S — CID 61289994

IUPACN-(4-aminophenyl)-2-(2-methoxyphenyl)sulfinylacetamide
SMILESCOc1ccccc1S(=O)CC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C15H16N2O3S/c1-20-13-4-2-3-5-14(13)21(19)10-15(18)17-12-8-6-11(16)7-9-12/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyILOGINDUUWTTHM-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.02
Rot. Bonds5

About N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfinylacetamide

N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfinylacetamide (PubChem CID 61289994) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfinylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(2-methoxyphenyl)sulfinylacetamide
PubChem CID61289994
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-(4-aminophenyl)-2-(2-methoxyphenyl)sulfinylacetamide
SMILESCOc1ccccc1S(=O)CC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C15H16N2O3S/c1-20-13-4-2-3-5-14(13)21(19)10-15(18)17-12-8-6-11(16)7-9-12/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyILOGINDUUWTTHM-UHFFFAOYSA-N
XLogP2.02
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(S)-(2-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 40512822
1-(2-methoxyphenyl)sulfinyl-3-phenylpropan-2-one
CID 64635704
N-(4-aminophenyl)-2-(3-methoxypropylsulfinyl)acetamide
CID 63855766
2-(4-amino-2-fluorophenyl)sulfinyl-N-phenylacetamide
CID 81192912
N-(4-aminophenyl)-2-(3-methylbutan-2-ylsulfinyl)acetamide
CID 107753657
N-(4-aminophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 175654262
N-(3-aminophenyl)-2-(2-methylphenyl)sulfinylacetamide
CID 61286825
methyl 3-(2-methoxyphenyl)sulfinyl-2,2-dimethylpropanoate
CID 79620325
2-(3-amino-2-methylphenyl)sulfinyl-N-(4-bromophenyl)acetamide
CID 81191944
2-(4-amino-2-bromophenyl)sulfinyl-N-(4-methylphenyl)acetamide
CID 82839190
N-[4-(aminomethyl)phenyl]-2-(2-fluorophenyl)sulfinylacetamide
CID 81320395
N-[4-(aminomethyl)phenyl]-2-(2-bromophenyl)sulfinylacetamide
CID 81329238

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfinylacetamide?
The IUPAC name of N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfinylacetamide (CID 61289994) is N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfinylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfinylacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfinylacetamide is COc1ccccc1S(=O)CC(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfinylacetamide?
The InChIKey is ILOGINDUUWTTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-20-13-4-2-3-5-14(13)21(19)10-15(18)17-12-8-6-11(16)7-9-12/h2-9H,10,16H2,1H3,(H,17,18).
What are the key properties of N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfinylacetamide?
N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfinylacetamide has a molecular weight of 304.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfinylacetamide is sourced from PubChem (CID 61289994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).