N-(2-amino-5-chlorophenyl)-2-(2-methoxyethylsulfinyl)acetamide

C11H15ClN2O3S — CID 61287840

IUPACN-(2-amino-5-chlorophenyl)-2-(2-methoxyethylsulfinyl)acetamide
SMILESCOCCS(=O)CC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C11H15ClN2O3S/c1-17-4-5-18(16)7-11(15)14-10-6-8(12)2-3-9(10)13/h2-3,6H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyJLLVERZPBQRVES-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.26
Rot. Bonds6

About N-(2-amino-5-chlorophenyl)-2-(2-methoxyethylsulfinyl)acetamide

N-(2-amino-5-chlorophenyl)-2-(2-methoxyethylsulfinyl)acetamide (PubChem CID 61287840) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-(2-methoxyethylsulfinyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-(2-methoxyethylsulfinyl)acetamide
PubChem CID61287840
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC NameN-(2-amino-5-chlorophenyl)-2-(2-methoxyethylsulfinyl)acetamide
SMILESCOCCS(=O)CC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C11H15ClN2O3S/c1-17-4-5-18(16)7-11(15)14-10-6-8(12)2-3-9(10)13/h2-3,6H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyJLLVERZPBQRVES-UHFFFAOYSA-N
XLogP1.26
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.26
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-(2-amino-5-chlorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide
CID 103401181
N-(2-amino-4-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide
CID 107753902
N-(3-aminophenyl)-2-(2-methoxyethylsulfinyl)acetamide
CID 61288850
N-(2-amino-5-chlorophenyl)-3-propan-2-ylsulfinylpropanamide
CID 61287045
N-(2-amino-5-chlorophenyl)-2-(4-bromophenyl)sulfinylacetamide
CID 61287409
N-(5-chloro-2-fluorophenyl)-2-[(S)-2-hydroxyethylsulfinyl]acetamide
CID 97340008
N-(2-amino-5-chlorophenyl)-3-pentylsulfinylpropanamide
CID 107753533
4-chloro-2-(2-methoxyethylsulfinyl)aniline
CID 81180933
N-(2-amino-5-chlorophenyl)-3-propoxypropanamide
CID 43247865
N-(2-amino-5-chlorophenyl)-3,3-dimethylbutanamide
CID 16794866
N-(2-amino-5-chlorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide
CID 61450431
3-(2-amino-5-chlorophenyl)-1-ethyl-1-methylurea
CID 79152051

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-(2-methoxyethylsulfinyl)acetamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-(2-methoxyethylsulfinyl)acetamide (CID 61287840) is N-(2-amino-5-chlorophenyl)-2-(2-methoxyethylsulfinyl)acetamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-(2-methoxyethylsulfinyl)acetamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-(2-methoxyethylsulfinyl)acetamide is COCCS(=O)CC(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-(2-methoxyethylsulfinyl)acetamide?
The InChIKey is JLLVERZPBQRVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-17-4-5-18(16)7-11(15)14-10-6-8(12)2-3-9(10)13/h2-3,6H,4-5,7,13H2,1H3,(H,14,15).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-(2-methoxyethylsulfinyl)acetamide?
N-(2-amino-5-chlorophenyl)-2-(2-methoxyethylsulfinyl)acetamide has a molecular weight of 290.77 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-(2-methoxyethylsulfinyl)acetamide is sourced from PubChem (CID 61287840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).