2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetate

C19H22NO4S- — CID 2202483

IUPAC2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetate
SMILESCc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)[O-])c(C)c1
InChIInChI=1S/C19H23NO4S/c1-14-11-15(2)19(16(3)12-14)25(23,24)20(13-18(21)22)10-9-17-7-5-4-6-8-17/h4-8,11-12H,9-10,13H2,1-3H3,(H,21,22)/p-1
InChIKeySGCZXEPEPXHJPJ-UHFFFAOYSA-M
MW360.46 g/mol
LogP1.60
Rot. Bonds7

About 2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetate

2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetate (PubChem CID 2202483) has the molecular formula C19H22NO4S- and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetate
PubChem CID2202483
Molecular FormulaC19H22NO4S-
Molecular Weight360.46 g/mol
Exact Mass360.13
IUPAC Name2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetate
SMILESCc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)[O-])c(C)c1
InChIInChI=1S/C19H23NO4S/c1-14-11-15(2)19(16(3)12-14)25(23,24)20(13-18(21)22)10-9-17-7-5-4-6-8-17/h4-8,11-12H,9-10,13H2,1-3H3,(H,21,22)/p-1
InChIKeySGCZXEPEPXHJPJ-UHFFFAOYSA-M
XLogP1.60
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 21373099
N-methyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 989293
N-(3,4-dimethylphenyl)-N-methyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 100795039
N-(3-chloro-4-methylphenyl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126371884
N-(3-bromophenyl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126371728
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 135684698
N-(3-ethoxypropyl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126372001
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 21373087
ethyl 2-[4-[[2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]phenyl]acetate
CID 100795024
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 21373112
N,N-dibenzyl-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 21373155
2,4,6-trimethyl-N-[2-oxo-2-[4-(3,4,5-trichlorophenyl)piperazin-1-yl]ethyl]-N-(2-phenylethyl)benzenesulfonamide
CID 166345157

Frequently Asked Questions

What is the IUPAC name of 2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetate?
The IUPAC name of 2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetate (CID 2202483) is 2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetate.
What is the SMILES notation for 2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetate?
The canonical SMILES for 2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetate is Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)[O-])c(C)c1.
What is the InChIKey of 2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetate?
The InChIKey is SGCZXEPEPXHJPJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H23NO4S/c1-14-11-15(2)19(16(3)12-14)25(23,24)20(13-18(21)22)10-9-17-7-5-4-6-8-17/h4-8,11-12H,9-10,13H2,1-3H3,(H,21,22)/p-1.
What are the key properties of 2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetate?
2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetate has a molecular weight of 360.46 g/mol, XLogP of 1.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 2202483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).