N-(3,4-dimethylphenyl)-N-methyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

C28H34N2O3S — CID 100795039

IUPACN-(3,4-dimethylphenyl)-N-methyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N(C)c2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C28H34N2O3S/c1-20-16-23(4)28(24(5)17-20)34(32,33)30(15-14-25-10-8-7-9-11-25)19-27(31)29(6)26-13-12-21(2)22(3)18-26/h7-13,16-18H,14-15,19H2,1-6H3
InChIKeyZULFQKWJJUUTHY-UHFFFAOYSA-N
MW478.66 g/mol
LogP5.13
Rot. Bonds8

About N-(3,4-dimethylphenyl)-N-methyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

N-(3,4-dimethylphenyl)-N-methyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (PubChem CID 100795039) has the molecular formula C28H34N2O3S and a molecular weight of 478.66 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-methyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-methyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
PubChem CID100795039
Molecular FormulaC28H34N2O3S
Molecular Weight478.66 g/mol
Exact Mass478.23
IUPAC NameN-(3,4-dimethylphenyl)-N-methyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N(C)c2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C28H34N2O3S/c1-20-16-23(4)28(24(5)17-20)34(32,33)30(15-14-25-10-8-7-9-11-25)19-27(31)29(6)26-13-12-21(2)22(3)18-26/h7-13,16-18H,14-15,19H2,1-6H3
InChIKeyZULFQKWJJUUTHY-UHFFFAOYSA-N
XLogP5.13
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.66
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 100794874
N,N-diethyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 21373099
2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetate
CID 2202483
N-methyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 989293
N-(3-ethoxypropyl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126372001
N-(3-chloro-4-methylphenyl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126371884
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 21373112
2,4,6-trimethyl-N-[2-oxo-2-[4-(3,4,5-trichlorophenyl)piperazin-1-yl]ethyl]-N-(2-phenylethyl)benzenesulfonamide
CID 166345157
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3,4-dimethylphenyl)-N-methylacetamide
CID 100793562
N-(3-bromophenyl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126371728
ethyl 2-[4-[[2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate
CID 100795024
N,N-dibenzyl-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 21373155

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-methyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-methyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (CID 100795039) is N-(3,4-dimethylphenyl)-N-methyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-methyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-methyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N(C)c2ccc(C)c(C)c2)c(C)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-methyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The InChIKey is ZULFQKWJJUUTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3S/c1-20-16-23(4)28(24(5)17-20)34(32,33)30(15-14-25-10-8-7-9-11-25)19-27(31)29(6)26-13-12-21(2)22(3)18-26/h7-13,16-18H,14-15,19H2,1-6H3.
What are the key properties of N-(3,4-dimethylphenyl)-N-methyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
N-(3,4-dimethylphenyl)-N-methyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide has a molecular weight of 478.66 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-methyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 100795039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).