N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide

C27H30N2O4S — CID 30307573

IUPACN-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccccc1N(CC(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)S(C)(=O)=O
InChIInChI=1S/C27H30N2O4S/c1-19-9-6-7-12-24(19)29(34(5,32)33)18-25(30)28-23-11-8-10-21(17-23)26(31)20-13-15-22(16-14-20)27(2,3)4/h6-17H,18H2,1-5H3,(H,28,30)
InChIKeyCPDZHZHSRPDDHL-UHFFFAOYSA-N
MW478.61 g/mol
LogP4.93
Rot. Bonds7

About N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide

N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 30307573) has the molecular formula C27H30N2O4S and a molecular weight of 478.61 g/mol. Its IUPAC name is N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
PubChem CID30307573
Molecular FormulaC27H30N2O4S
Molecular Weight478.61 g/mol
Exact Mass478.19
IUPAC NameN-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccccc1N(CC(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)S(C)(=O)=O
InChIInChI=1S/C27H30N2O4S/c1-19-9-6-7-12-24(19)29(34(5,32)33)18-25(30)28-23-11-8-10-21(17-23)26(31)20-13-15-22(16-14-20)27(2,3)4/h6-17H,18H2,1-5H3,(H,28,30)
InChIKeyCPDZHZHSRPDDHL-UHFFFAOYSA-N
XLogP4.93
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 28572319
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 92672616
N-[3-(4-tert-butylbenzoyl)phenyl]-2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetamide
CID 43908434
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[3-(4-tert-butylbenzoyl)phenyl]acetamide
CID 43901838
N-[3-(4-tert-butylbenzoyl)phenyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 28633023
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43902281
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)acetamide
CID 99952852
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[3-(4-tert-butylbenzoyl)phenyl]acetamide
CID 43902069
2-(2-tert-butyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 113154589
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 43900631

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide (CID 30307573) is N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide is Cc1ccccc1N(CC(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)S(C)(=O)=O.
What is the InChIKey of N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is CPDZHZHSRPDDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4S/c1-19-9-6-7-12-24(19)29(34(5,32)33)18-25(30)28-23-11-8-10-21(17-23)26(31)20-13-15-22(16-14-20)27(2,3)4/h6-17H,18H2,1-5H3,(H,28,30).
What are the key properties of N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 478.61 g/mol, XLogP of 4.93, 7 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-(2-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30307573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).