N-[1-(4-methoxyphenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

C21H28N2O4S — CID 43872231

IUPACN-[1-(4-methoxyphenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(C(C)NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C21H28N2O4S/c1-14-11-15(2)21(16(3)12-14)28(25,26)23(5)13-20(24)22-17(4)18-7-9-19(27-6)10-8-18/h7-12,17H,13H2,1-6H3,(H,22,24)
InChIKeyOFTXEPGHPFRJNR-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.12
Rot. Bonds7

About N-[1-(4-methoxyphenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

N-[1-(4-methoxyphenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (PubChem CID 43872231) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
PubChem CID43872231
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(C(C)NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C21H28N2O4S/c1-14-11-15(2)21(16(3)12-14)28(25,26)23(5)13-20(24)22-17(4)18-7-9-19(27-6)10-8-18/h7-12,17H,13H2,1-6H3,(H,22,24)
InChIKeyOFTXEPGHPFRJNR-UHFFFAOYSA-N
XLogP3.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 28546100
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 28546094
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 28546352
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 125059760
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43872151
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43891537
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 26034287
2-[ethylsulfonyl(methyl)amino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 133255493
2-[ethylsulfonyl(methyl)amino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 100784769
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 133165854
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28546036
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 125058379

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (CID 43872231) is N-[1-(4-methoxyphenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is COc1ccc(C(C)NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The InChIKey is OFTXEPGHPFRJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-14-11-15(2)21(16(3)12-14)28(25,26)23(5)13-20(24)22-17(4)18-7-9-19(27-6)10-8-18/h7-12,17H,13H2,1-6H3,(H,22,24).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
N-[1-(4-methoxyphenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide has a molecular weight of 404.53 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 43872231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).