N-[3-[[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide

C22H30N4O5S — CID 24662396

IUPACN-[3-[[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CNc1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C22H30N4O5S/c1-22(2,3)21(28)24-16-9-7-8-15(12-16)23-14-20(27)25-18-13-17(10-11-19(18)31-6)32(29,30)26(4)5/h7-13,23H,14H2,1-6H3,(H,24,28)(H,25,27)
InChIKeyGNWZTHQGNLSTDA-UHFFFAOYSA-N
MW462.57 g/mol
LogP2.98
Rot. Bonds8

About N-[3-[[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide

N-[3-[[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide (PubChem CID 24662396) has the molecular formula C22H30N4O5S and a molecular weight of 462.57 g/mol. Its IUPAC name is N-[3-[[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
PubChem CID24662396
Molecular FormulaC22H30N4O5S
Molecular Weight462.57 g/mol
Exact Mass462.19
IUPAC NameN-[3-[[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CNc1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C22H30N4O5S/c1-22(2,3)21(28)24-16-9-7-8-15(12-16)23-14-20(27)25-18-13-17(10-11-19(18)31-6)32(29,30)26(4)5/h7-13,23H,14H2,1-6H3,(H,24,28)(H,25,27)
InChIKeyGNWZTHQGNLSTDA-UHFFFAOYSA-N
XLogP2.98
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[5-(dimethylsulfamoyl)-2-methoxyanilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 33168312
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(2-methoxyphenyl)acetamide
CID 9100537
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[3-(2-phenylethynyl)anilino]acetamide
CID 25409083
N-(5-tert-butyl-2-methoxyphenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
CID 4884054
N-(4-chlorophenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide
CID 55345430
N-(4-bromo-3-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methoxyanilino]acetamide
CID 4884058
2-(2,6-dichlorophenyl)sulfanyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 18777757
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(2-methyl-1-phenylpropyl)amino]acetamide
CID 17406570
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1-phenylethylamino)acetamide
CID 42913358
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,3-diphenylpropanamide
CID 26205505
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(3-nitroanilino)acetamide
CID 46537107
N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 31760902

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide (CID 24662396) is N-[3-[[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CNc1cccc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of N-[3-[[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is GNWZTHQGNLSTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5S/c1-22(2,3)21(28)24-16-9-7-8-15(12-16)23-14-20(27)25-18-13-17(10-11-19(18)31-6)32(29,30)26(4)5/h7-13,23H,14H2,1-6H3,(H,24,28)(H,25,27).
What are the key properties of N-[3-[[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide?
N-[3-[[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 462.57 g/mol, XLogP of 2.98, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 24662396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).