N-(4-tert-butylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide

C21H28N2O3S — CID 113153927

IUPACN-(4-tert-butylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C21H28N2O3S/c1-15-7-12-19(13-16(15)2)23(27(6,25)26)14-20(24)22-18-10-8-17(9-11-18)21(3,4)5/h7-13H,14H2,1-6H3,(H,22,24)
InChIKeyKDPZFQUHNKJTTO-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.01
Rot. Bonds5

About N-(4-tert-butylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide

N-(4-tert-butylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 113153927) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
PubChem CID113153927
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-(4-tert-butylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1C
InChIInChI=1S/C21H28N2O3S/c1-15-7-12-19(13-16(15)2)23(27(6,25)26)14-20(24)22-18-10-8-17(9-11-18)21(3,4)5/h7-13H,14H2,1-6H3,(H,22,24)
InChIKeyKDPZFQUHNKJTTO-UHFFFAOYSA-N
XLogP4.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153931
methyl 4-[[2-(3,4-dimethyl-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 113153933
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 51343143
N-(4-bromo-3-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 126261953
N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1001054
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1007877
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
CID 126378158
3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113142293
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 43908968
N-(3,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 1098104
2-(4-tert-butyl-N-methylsulfonylanilino)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30254169
ethyl 4-[[2-(4-tert-butyl-N-methylsulfonylanilino)acetyl]amino]-2-chlorobenzoate
CID 30394625

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide (CID 113153927) is N-(4-tert-butylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide is Cc1ccc(N(CC(=O)Nc2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1C.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is KDPZFQUHNKJTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-15-7-12-19(13-16(15)2)23(27(6,25)26)14-20(24)22-18-10-8-17(9-11-18)21(3,4)5/h7-13H,14H2,1-6H3,(H,22,24).
What are the key properties of N-(4-tert-butylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide?
N-(4-tert-butylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 388.53 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113153927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).