N-(1H-imidazol-2-yl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

C19H20N4O4S — CID 127049151

IUPACN-(1H-imidazol-2-yl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1ncc[nH]1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H20N4O4S/c1-14-7-9-15(10-8-14)28(25,26)23(16-5-3-4-6-17(16)27-2)13-18(24)22-19-20-11-12-21-19/h3-12H,13H2,1-2H3,(H2,20,21,22,24)
InChIKeyLNENVQBSEFMQDV-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.56
Rot. Bonds7

About N-(1H-imidazol-2-yl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

N-(1H-imidazol-2-yl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 127049151) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID127049151
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-(1H-imidazol-2-yl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1ncc[nH]1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H20N4O4S/c1-14-7-9-15(10-8-14)28(25,26)23(16-5-3-4-6-17(16)27-2)13-18(24)22-19-20-11-12-21-19/h3-12H,13H2,1-2H3,(H2,20,21,22,24)
InChIKeyLNENVQBSEFMQDV-UHFFFAOYSA-N
XLogP2.56
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(1H-imidazol-2-yl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 127049151) is N-(1H-imidazol-2-yl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is COc1ccccc1N(CC(=O)Nc1ncc[nH]1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(1H-imidazol-2-yl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is LNENVQBSEFMQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-14-7-9-15(10-8-14)28(25,26)23(16-5-3-4-6-17(16)27-2)13-18(24)22-19-20-11-12-21-19/h3-12H,13H2,1-2H3,(H2,20,21,22,24).
What are the key properties of N-(1H-imidazol-2-yl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-(1H-imidazol-2-yl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 400.46 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 127049151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).