2-(2-amino-6-chlorophenyl)sulfinyl-N-(2-methoxyethyl)propanamide

C12H17ClN2O3S — CID 81185588

IUPAC2-(2-amino-6-chlorophenyl)sulfinyl-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)S(=O)c1c(N)cccc1Cl
InChIInChI=1S/C12H17ClN2O3S/c1-8(12(16)15-6-7-18-2)19(17)11-9(13)4-3-5-10(11)14/h3-5,8H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyKAAXTZKSKGRONU-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.18
Rot. Bonds6

About 2-(2-amino-6-chlorophenyl)sulfinyl-N-(2-methoxyethyl)propanamide

2-(2-amino-6-chlorophenyl)sulfinyl-N-(2-methoxyethyl)propanamide (PubChem CID 81185588) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 2-(2-amino-6-chlorophenyl)sulfinyl-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(2-amino-6-chlorophenyl)sulfinyl-N-(2-methoxyethyl)propanamide
PubChem CID81185588
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name2-(2-amino-6-chlorophenyl)sulfinyl-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)S(=O)c1c(N)cccc1Cl
InChIInChI=1S/C12H17ClN2O3S/c1-8(12(16)15-6-7-18-2)19(17)11-9(13)4-3-5-10(11)14/h3-5,8H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyKAAXTZKSKGRONU-UHFFFAOYSA-N
XLogP1.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-6-chlorophenyl)sulfinyl-N-butylpropanamide
CID 81186246
2-(2-amino-6-chlorophenyl)sulfinyl-N-propan-2-ylpropanamide
CID 81184113
2-(2-amino-6-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81184295
2-(2-amino-6-chlorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide
CID 81185351
2-(2-amino-5-bromophenyl)sulfinyl-N-(2-methoxyethyl)propanamide
CID 81207237
2-(2-amino-6-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 107715953
3-chloro-2-(methoxymethylsulfinyl)aniline
CID 81184118
2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
CID 46452752
2-amino-6-chloro-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 63660232
2-[2-(aminomethyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
CID 112607554
2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
CID 115958326
2-(2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 47217645

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chlorophenyl)sulfinyl-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(2-amino-6-chlorophenyl)sulfinyl-N-(2-methoxyethyl)propanamide (CID 81185588) is 2-(2-amino-6-chlorophenyl)sulfinyl-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(2-amino-6-chlorophenyl)sulfinyl-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(2-amino-6-chlorophenyl)sulfinyl-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)S(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-(2-amino-6-chlorophenyl)sulfinyl-N-(2-methoxyethyl)propanamide?
The InChIKey is KAAXTZKSKGRONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-8(12(16)15-6-7-18-2)19(17)11-9(13)4-3-5-10(11)14/h3-5,8H,6-7,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-amino-6-chlorophenyl)sulfinyl-N-(2-methoxyethyl)propanamide?
2-(2-amino-6-chlorophenyl)sulfinyl-N-(2-methoxyethyl)propanamide has a molecular weight of 304.80 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chlorophenyl)sulfinyl-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 81185588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).