N-[3-(4-tert-butylbenzoyl)phenyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide

C27H31N3O4S — CID 28633023

IUPACN-[3-(4-tert-butylbenzoyl)phenyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccccc1
InChIInChI=1S/C27H31N3O4S/c1-27(2,3)22-16-14-20(15-17-22)26(32)21-10-9-11-23(18-21)28-25(31)19-30(35(33,34)29(4)5)24-12-7-6-8-13-24/h6-18H,19H2,1-5H3,(H,28,31)
InChIKeyLVEFVJCFHMGMTJ-UHFFFAOYSA-N
MW493.63 g/mol
LogP4.47
Rot. Bonds8

About N-[3-(4-tert-butylbenzoyl)phenyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide

N-[3-(4-tert-butylbenzoyl)phenyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide (PubChem CID 28633023) has the molecular formula C27H31N3O4S and a molecular weight of 493.63 g/mol. Its IUPAC name is N-[3-(4-tert-butylbenzoyl)phenyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide.

Molecular Properties

Compound NameN-[3-(4-tert-butylbenzoyl)phenyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide
PubChem CID28633023
Molecular FormulaC27H31N3O4S
Molecular Weight493.63 g/mol
Exact Mass493.20
IUPAC NameN-[3-(4-tert-butylbenzoyl)phenyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccccc1
InChIInChI=1S/C27H31N3O4S/c1-27(2,3)22-16-14-20(15-17-22)26(32)21-10-9-11-23(18-21)28-25(31)19-30(35(33,34)29(4)5)24-12-7-6-8-13-24/h6-18H,19H2,1-5H3,(H,28,31)
InChIKeyLVEFVJCFHMGMTJ-UHFFFAOYSA-N
XLogP4.47
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 92672616
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43902281
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 30307573
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide
CID 99949486
N-[3-(4-tert-butylbenzoyl)phenyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 92679349
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[3-(4-tert-butylbenzoyl)phenyl]acetamide
CID 43901838
2-[N-(dimethylsulfamoyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 15991423
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 99943082
N-[3-(4-tert-butylbenzoyl)phenyl]-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 43902455
N-[3-[[2-[N-(benzenesulfonyl)-4-methylanilino]acetyl]amino]phenyl]-4-tert-butylbenzamide
CID 43901818
N-(4-acetamidophenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 17201170
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)acetamide
CID 99952852

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-tert-butylbenzoyl)phenyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide?
The IUPAC name of N-[3-(4-tert-butylbenzoyl)phenyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide (CID 28633023) is N-[3-(4-tert-butylbenzoyl)phenyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide.
What is the SMILES notation for N-[3-(4-tert-butylbenzoyl)phenyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide?
The canonical SMILES for N-[3-(4-tert-butylbenzoyl)phenyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide is CN(C)S(=O)(=O)N(CC(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccccc1.
What is the InChIKey of N-[3-(4-tert-butylbenzoyl)phenyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide?
The InChIKey is LVEFVJCFHMGMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4S/c1-27(2,3)22-16-14-20(15-17-22)26(32)21-10-9-11-23(18-21)28-25(31)19-30(35(33,34)29(4)5)24-12-7-6-8-13-24/h6-18H,19H2,1-5H3,(H,28,31).
What are the key properties of N-[3-(4-tert-butylbenzoyl)phenyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide?
N-[3-(4-tert-butylbenzoyl)phenyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide has a molecular weight of 493.63 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-tert-butylbenzoyl)phenyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide is sourced from PubChem (CID 28633023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).