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

C28H34N2O4S — CID 28546352

IUPACN-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C28H34N2O4S/c1-19-7-9-24(10-8-19)17-30(35(32,33)28-21(3)15-20(2)16-22(28)4)18-27(31)29-23(5)25-11-13-26(34-6)14-12-25/h7-16,23H,17-18H2,1-6H3,(H,29,31)/t23-/m1/s1
InChIKeyPTLYEMQXGPJKFU-HSZRJFAPSA-N
MW494.66 g/mol
LogP5.00
Rot. Bonds9

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

N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (PubChem CID 28546352) has the molecular formula C28H34N2O4S and a molecular weight of 494.66 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
PubChem CID28546352
Molecular FormulaC28H34N2O4S
Molecular Weight494.66 g/mol
Exact Mass494.22
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C28H34N2O4S/c1-19-7-9-24(10-8-19)17-30(35(32,33)28-21(3)15-20(2)16-22(28)4)18-27(31)29-23(5)25-11-13-26(34-6)14-12-25/h7-16,23H,17-18H2,1-6H3,(H,29,31)/t23-/m1/s1
InChIKeyPTLYEMQXGPJKFU-HSZRJFAPSA-N
XLogP5.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.66
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43872151
N-[1-(4-methoxyphenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 43872231
2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906224
2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 126371750
2-[ethyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28547067
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43872342
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28546562
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 125059760
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401062
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 94861461
N-(3-methylbutyl)-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126371796
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28544716

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (CID 28546352) is N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is COc1ccc([C@@H](C)NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The InChIKey is PTLYEMQXGPJKFU-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H34N2O4S/c1-19-7-9-24(10-8-19)17-30(35(32,33)28-21(3)15-20(2)16-22(28)4)18-27(31)29-23(5)25-11-13-26(34-6)14-12-25/h7-16,23H,17-18H2,1-6H3,(H,29,31)/t23-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide has a molecular weight of 494.66 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 28546352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).