N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide

C22H30N2O4S — CID 133186266

IUPACN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide
SMILESCOc1cc(C)c(C(C)NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1C(C)C
InChIInChI=1S/C22H30N2O4S/c1-15(2)19-13-20(16(3)12-21(19)28-5)17(4)23-22(25)14-24(29(6,26)27)18-10-8-7-9-11-18/h7-13,15,17H,14H2,1-6H3,(H,23,25)
InChIKeyDASPLENOANCJBE-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.77
Rot. Bonds8

About N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide

N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide (PubChem CID 133186266) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide
PubChem CID133186266
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC NameN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide
SMILESCOc1cc(C)c(C(C)NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1C(C)C
InChIInChI=1S/C22H30N2O4S/c1-15(2)19-13-20(16(3)12-21(19)28-5)17(4)23-22(25)14-24(29(6,26)27)18-10-8-7-9-11-18/h7-13,15,17H,14H2,1-6H3,(H,23,25)
InChIKeyDASPLENOANCJBE-UHFFFAOYSA-N
XLogP3.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 133186280
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 133186286
2-(3-ethoxy-N-methylsulfonylanilino)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 133186630
N-[1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide
CID 133251712
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 125080822
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 133186210
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 133186192
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 133186212
N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 125087150
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 133186227
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 133186247
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 125084351

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide (CID 133186266) is N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide is COc1cc(C)c(C(C)NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1C(C)C.
What is the InChIKey of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide?
The InChIKey is DASPLENOANCJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-15(2)19-13-20(16(3)12-21(19)28-5)17(4)23-22(25)14-24(29(6,26)27)18-10-8-7-9-11-18/h7-13,15,17H,14H2,1-6H3,(H,23,25).
What are the key properties of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide?
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide has a molecular weight of 418.56 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 133186266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).