N-(5-tert-butyl-2-methoxyphenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide

C23H34N4O4S — CID 4884054

IUPACN-(5-tert-butyl-2-methoxyphenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C23H34N4O4S/c1-8-24-18-11-10-17(32(29,30)27(5)6)14-19(18)25-15-22(28)26-20-13-16(23(2,3)4)9-12-21(20)31-7/h9-14,24-25H,8,15H2,1-7H3,(H,26,28)
InChIKeyCPQFIXMZSTXXHT-UHFFFAOYSA-N
MW462.62 g/mol
LogP3.73
Rot. Bonds9

About N-(5-tert-butyl-2-methoxyphenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide

N-(5-tert-butyl-2-methoxyphenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide (PubChem CID 4884054) has the molecular formula C23H34N4O4S and a molecular weight of 462.62 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
PubChem CID4884054
Molecular FormulaC23H34N4O4S
Molecular Weight462.62 g/mol
Exact Mass462.23
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C23H34N4O4S/c1-8-24-18-11-10-17(32(29,30)27(5)6)14-19(18)25-15-22(28)26-20-13-16(23(2,3)4)9-12-21(20)31-7/h9-14,24-25H,8,15H2,1-7H3,(H,26,28)
InChIKeyCPQFIXMZSTXXHT-UHFFFAOYSA-N
XLogP3.73
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetate
CID 24541409
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 9106509
N-(4-bromo-2-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
CID 4884599
N-[3-[[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 24662396
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(2-methoxyphenyl)acetamide
CID 9100537
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-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(4-phenoxyphenyl)acetamide
CID 4884363
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9106574
N-[3-[5-(dimethylsulfamoyl)-2-methoxyanilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 33168312
N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chloro-2,5-dimethoxyanilino)acetamide
CID 4885055
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,5-dimethylanilino)acetamide
CID 26505603

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide (CID 4884054) is N-(5-tert-butyl-2-methoxyphenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide is CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1cc(C(C)(C)C)ccc1OC.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide?
The InChIKey is CPQFIXMZSTXXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O4S/c1-8-24-18-11-10-17(32(29,30)27(5)6)14-19(18)25-15-22(28)26-20-13-16(23(2,3)4)9-12-21(20)31-7/h9-14,24-25H,8,15H2,1-7H3,(H,26,28).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide?
N-(5-tert-butyl-2-methoxyphenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide has a molecular weight of 462.62 g/mol, XLogP of 3.73, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide is sourced from PubChem (CID 4884054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).