2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(2,2-dimethylpropyl)acetamide

C23H32N2O4S — CID 100799193

IUPAC2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(2,2-dimethylpropyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)NCC(C)(C)C)Cc2ccccc2)cc1C
InChIInChI=1S/C23H32N2O4S/c1-6-29-21-13-12-20(14-18(21)2)30(27,28)25(15-19-10-8-7-9-11-19)16-22(26)24-17-23(3,4)5/h7-14H,6,15-17H2,1-5H3,(H,24,26)
InChIKeyHGUFJIAKBJJMLF-UHFFFAOYSA-N
MW432.59 g/mol
LogP3.75
Rot. Bonds9

About 2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(2,2-dimethylpropyl)acetamide

2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(2,2-dimethylpropyl)acetamide (PubChem CID 100799193) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is 2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(2,2-dimethylpropyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(2,2-dimethylpropyl)acetamide
PubChem CID100799193
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC Name2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(2,2-dimethylpropyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)NCC(C)(C)C)Cc2ccccc2)cc1C
InChIInChI=1S/C23H32N2O4S/c1-6-29-21-13-12-20(14-18(21)2)30(27,28)25(15-19-10-8-7-9-11-19)16-22(26)24-17-23(3,4)5/h7-14H,6,15-17H2,1-5H3,(H,24,26)
InChIKeyHGUFJIAKBJJMLF-UHFFFAOYSA-N
XLogP3.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100797309
2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401552
2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43872602
2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[1-(3-bromophenyl)ethyl]acetamide
CID 43872604
2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]acetamide
CID 100797360
N-benzyl-N-[2-(5-bromo-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 100797305
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401389
2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 37496925
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-butylacetamide
CID 126081614
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide
CID 3117777
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide
CID 1263278
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 5136984

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(2,2-dimethylpropyl)acetamide?
The IUPAC name of 2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(2,2-dimethylpropyl)acetamide (CID 100799193) is 2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(2,2-dimethylpropyl)acetamide.
What is the SMILES notation for 2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(2,2-dimethylpropyl)acetamide?
The canonical SMILES for 2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(2,2-dimethylpropyl)acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)NCC(C)(C)C)Cc2ccccc2)cc1C.
What is the InChIKey of 2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(2,2-dimethylpropyl)acetamide?
The InChIKey is HGUFJIAKBJJMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-6-29-21-13-12-20(14-18(21)2)30(27,28)25(15-19-10-8-7-9-11-19)16-22(26)24-17-23(3,4)5/h7-14H,6,15-17H2,1-5H3,(H,24,26).
What are the key properties of 2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(2,2-dimethylpropyl)acetamide?
2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(2,2-dimethylpropyl)acetamide has a molecular weight of 432.59 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(2,2-dimethylpropyl)acetamide is sourced from PubChem (CID 100799193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).