2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chloro-5-methyl-3-pyridinyl)acetamide

C22H22ClN3O4S — CID 149148846

IUPAC2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chloro-5-methyl-3-pyridinyl)acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)Nc1cc(C)cnc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H22ClN3O4S/c1-15-9-10-20(30-3)19(12-15)26(31(28,29)17-7-5-4-6-8-17)14-21(27)25-18-11-16(2)13-24-22(18)23/h4-13H,14H2,1-3H3,(H,25,27)
InChIKeyRLJVRFNAKPAQJN-UHFFFAOYSA-N
MW459.96 g/mol
LogP4.19
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chloro-5-methyl-3-pyridinyl)acetamide

2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chloro-5-methyl-3-pyridinyl)acetamide (PubChem CID 149148846) has the molecular formula C22H22ClN3O4S and a molecular weight of 459.96 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chloro-5-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chloro-5-methyl-3-pyridinyl)acetamide
PubChem CID149148846
Molecular FormulaC22H22ClN3O4S
Molecular Weight459.96 g/mol
Exact Mass459.10
IUPAC Name2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chloro-5-methyl-3-pyridinyl)acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)Nc1cc(C)cnc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H22ClN3O4S/c1-15-9-10-20(30-3)19(12-15)26(31(28,29)17-7-5-4-6-8-17)14-21(27)25-18-11-16(2)13-24-22(18)23/h4-13H,14H2,1-3H3,(H,25,27)
InChIKeyRLJVRFNAKPAQJN-UHFFFAOYSA-N
XLogP4.19
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.96
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-methylphenyl)acetamide
CID 30169948
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2278594
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetamide
CID 1210617
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-iodo-2-methylphenyl)acetamide
CID 126129112
N-(2-methoxy-5-methylphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1333379
N-(5-chloro-2-methoxyphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344513
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-propan-2-ylphenyl)acetamide
CID 1372918
N-(2-fluorophenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2280003
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2897139
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide
CID 92644335
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894783
N-(2,4-dimethylphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172229

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chloro-5-methyl-3-pyridinyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chloro-5-methyl-3-pyridinyl)acetamide (CID 149148846) is 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chloro-5-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chloro-5-methyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chloro-5-methyl-3-pyridinyl)acetamide is COc1ccc(C)cc1N(CC(=O)Nc1cc(C)cnc1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chloro-5-methyl-3-pyridinyl)acetamide?
The InChIKey is RLJVRFNAKPAQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O4S/c1-15-9-10-20(30-3)19(12-15)26(31(28,29)17-7-5-4-6-8-17)14-21(27)25-18-11-16(2)13-24-22(18)23/h4-13H,14H2,1-3H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chloro-5-methyl-3-pyridinyl)acetamide?
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chloro-5-methyl-3-pyridinyl)acetamide has a molecular weight of 459.96 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(2-chloro-5-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 149148846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).