2-(6-chloro-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]acetamide

C19H24ClN3O3S — CID 86933475

IUPAC2-(6-chloro-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)Cc2ccc(Cl)nc2)c1
InChIInChI=1S/C19H24ClN3O3S/c1-5-23(6-2)27(25,26)16-9-13(3)14(4)17(11-16)22-19(24)10-15-7-8-18(20)21-12-15/h7-9,11-12H,5-6,10H2,1-4H3,(H,22,24)
InChIKeyHOLITSFTJKBGJA-UHFFFAOYSA-N
MW409.94 g/mol
LogP3.56
Rot. Bonds7

About 2-(6-chloro-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]acetamide

2-(6-chloro-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]acetamide (PubChem CID 86933475) has the molecular formula C19H24ClN3O3S and a molecular weight of 409.94 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]acetamide
PubChem CID86933475
Molecular FormulaC19H24ClN3O3S
Molecular Weight409.94 g/mol
Exact Mass409.12
IUPAC Name2-(6-chloro-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)Cc2ccc(Cl)nc2)c1
InChIInChI=1S/C19H24ClN3O3S/c1-5-23(6-2)27(25,26)16-9-13(3)14(4)17(11-16)22-19(24)10-15-7-8-18(20)21-12-15/h7-9,11-12H,5-6,10H2,1-4H3,(H,22,24)
InChIKeyHOLITSFTJKBGJA-UHFFFAOYSA-N
XLogP3.56
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 27832563
3-amino-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]propanamide;hydrochloride
CID 119272848
2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetamide
CID 16564298
6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]pyridine-3-carboxamide
CID 8011851
2-(2,4-dichlorophenyl)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 27832730
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 27832679
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-ethoxypyridine-3-carboxamide
CID 27832560
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]piperidine-4-carboxamide
CID 119272853
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 26977901
N-(5-chloro-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-methylanilino]acetamide
CID 17396256
2-(4-aminophenyl)-N-[5-(diethylsulfamoyl)-2-(methylamino)phenyl]acetamide
CID 119682102

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]acetamide?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]acetamide (CID 86933475) is 2-(6-chloro-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]acetamide.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]acetamide?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]acetamide is CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)Cc2ccc(Cl)nc2)c1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]acetamide?
The InChIKey is HOLITSFTJKBGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3S/c1-5-23(6-2)27(25,26)16-9-13(3)14(4)17(11-16)22-19(24)10-15-7-8-18(20)21-12-15/h7-9,11-12H,5-6,10H2,1-4H3,(H,22,24).
What are the key properties of 2-(6-chloro-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]acetamide?
2-(6-chloro-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]acetamide has a molecular weight of 409.94 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]acetamide is sourced from PubChem (CID 86933475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).