2-(3-chloro-4-methoxy-2-methylsulfonylanilino)-N-(2-ethoxyphenyl)acetamide

C18H21ClN2O5S — CID 22304423

IUPAC2-(3-chloro-4-methoxy-2-methylsulfonylanilino)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CNc1ccc(OC)c(Cl)c1S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O5S/c1-4-26-14-8-6-5-7-12(14)21-16(22)11-20-13-9-10-15(25-2)17(19)18(13)27(3,23)24/h5-10,20H,4,11H2,1-3H3,(H,21,22)
InChIKeyABPZPTORIYAHQB-UHFFFAOYSA-N
MW412.90 g/mol
LogP3.20
Rot. Bonds8

About 2-(3-chloro-4-methoxy-2-methylsulfonylanilino)-N-(2-ethoxyphenyl)acetamide

2-(3-chloro-4-methoxy-2-methylsulfonylanilino)-N-(2-ethoxyphenyl)acetamide (PubChem CID 22304423) has the molecular formula C18H21ClN2O5S and a molecular weight of 412.90 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxy-2-methylsulfonylanilino)-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxy-2-methylsulfonylanilino)-N-(2-ethoxyphenyl)acetamide
PubChem CID22304423
Molecular FormulaC18H21ClN2O5S
Molecular Weight412.90 g/mol
Exact Mass412.09
IUPAC Name2-(3-chloro-4-methoxy-2-methylsulfonylanilino)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CNc1ccc(OC)c(Cl)c1S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O5S/c1-4-26-14-8-6-5-7-12(14)21-16(22)11-20-13-9-10-15(25-2)17(19)18(13)27(3,23)24/h5-10,20H,4,11H2,1-3H3,(H,21,22)
InChIKeyABPZPTORIYAHQB-UHFFFAOYSA-N
XLogP3.20
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(2-ethoxyanilino)acetamide
CID 9101959
N-(3-chloro-2-methylphenyl)-2-(2,4-dimethoxy-3-methylsulfonylanilino)acetamide
CID 22307377
N-(2-bromophenyl)-2-(3,4-dimethoxy-2-methylsulfonylanilino)acetamide
CID 22303984
N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 38773224
2-(5-chloro-2-methylanilino)-N-(2-ethoxyphenyl)acetamide
CID 9102968
N-[2-(2-ethoxyethoxy)phenyl]-2-(2-methoxyanilino)acetamide
CID 54817500
2-(2-ethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54817274
N-(2-ethoxyphenyl)-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827090
ethyl 2-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009177
2-(2-ethoxyanilino)-N-(4-methoxyphenyl)acetamide
CID 26438880
N-[2-(difluoromethoxy)phenyl]-2-(2-ethoxyanilino)acetamide
CID 9102233
2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-(2-ethoxyphenyl)acetamide
CID 112998835

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxy-2-methylsulfonylanilino)-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-(3-chloro-4-methoxy-2-methylsulfonylanilino)-N-(2-ethoxyphenyl)acetamide (CID 22304423) is 2-(3-chloro-4-methoxy-2-methylsulfonylanilino)-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxy-2-methylsulfonylanilino)-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxy-2-methylsulfonylanilino)-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CNc1ccc(OC)c(Cl)c1S(C)(=O)=O.
What is the InChIKey of 2-(3-chloro-4-methoxy-2-methylsulfonylanilino)-N-(2-ethoxyphenyl)acetamide?
The InChIKey is ABPZPTORIYAHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O5S/c1-4-26-14-8-6-5-7-12(14)21-16(22)11-20-13-9-10-15(25-2)17(19)18(13)27(3,23)24/h5-10,20H,4,11H2,1-3H3,(H,21,22).
What are the key properties of 2-(3-chloro-4-methoxy-2-methylsulfonylanilino)-N-(2-ethoxyphenyl)acetamide?
2-(3-chloro-4-methoxy-2-methylsulfonylanilino)-N-(2-ethoxyphenyl)acetamide has a molecular weight of 412.90 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxy-2-methylsulfonylanilino)-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 22304423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).