2-(2-amino-6-chlorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide

C12H17ClN2O3S — CID 81185351

IUPAC2-(2-amino-6-chlorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CS(=O)c1c(N)cccc1Cl
InChIInChI=1S/C12H17ClN2O3S/c1-18-7-3-6-15-11(16)8-19(17)12-9(13)4-2-5-10(12)14/h2,4-5H,3,6-8,14H2,1H3,(H,15,16)
InChIKeyZCXJFDFPOIKFQN-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.18
Rot. Bonds7

About 2-(2-amino-6-chlorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide

2-(2-amino-6-chlorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide (PubChem CID 81185351) 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-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-6-chlorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide
PubChem CID81185351
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name2-(2-amino-6-chlorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CS(=O)c1c(N)cccc1Cl
InChIInChI=1S/C12H17ClN2O3S/c1-18-7-3-6-15-11(16)8-19(17)12-9(13)4-2-5-10(12)14/h2,4-5H,3,6-8,14H2,1H3,(H,15,16)
InChIKeyZCXJFDFPOIKFQN-UHFFFAOYSA-N
XLogP1.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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'}

Analyze 2-(2-amino-6-chlorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-amino-6-chlorophenyl)sulfinyl-N-(cyanomethyl)acetamide
CID 81185128
[2-(3-methoxypropylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate
CID 63662025
2-(2-amino-6-chlorophenyl)sulfinyl-N-(2-methoxyethyl)propanamide
CID 81185588
3-chloro-2-(methoxymethylsulfinyl)aniline
CID 81184118
2-(2-amino-4-bromophenyl)sulfinyl-N-(3-methoxypropyl)acetamide
CID 81184227
N'-(2,6-dichlorophenyl)-N-(3-methoxypropyl)propanediamide
CID 108943408
2-(2-amino-6-chlorophenyl)sulfinyl-N-(4-fluorophenyl)acetamide
CID 81185788
2-(2-amino-6-chlorophenyl)sulfinyl-N,N-dimethylacetamide
CID 81185117
2-(2-amino-6-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 107715953
2-(4-fluorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide
CID 63792276
2-(2-amino-6-chlorophenyl)sulfinyl-N-butylpropanamide
CID 81186246
3-(2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
CID 109015481

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chlorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(2-amino-6-chlorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide (CID 81185351) is 2-(2-amino-6-chlorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(2-amino-6-chlorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(2-amino-6-chlorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CS(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-(2-amino-6-chlorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide?
The InChIKey is ZCXJFDFPOIKFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-18-7-3-6-15-11(16)8-19(17)12-9(13)4-2-5-10(12)14/h2,4-5H,3,6-8,14H2,1H3,(H,15,16).
What are the key properties of 2-(2-amino-6-chlorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide?
2-(2-amino-6-chlorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide has a molecular weight of 304.80 g/mol, XLogP of 1.18, 7 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-(3-methoxypropyl)acetamide is sourced from PubChem (CID 81185351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).