2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-chlorophenyl)acetamide

C23H23ClN2O5S — CID 3646997

IUPAC2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-chlorophenyl)acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)Cc2ccccc2)c1
InChIInChI=1S/C23H23ClN2O5S/c1-30-20-11-12-21(31-2)22(14-20)32(28,29)26(15-17-7-4-3-5-8-17)16-23(27)25-19-10-6-9-18(24)13-19/h3-14H,15-16H2,1-2H3,(H,25,27)
InChIKeyLVVFXIKTKMWUSS-UHFFFAOYSA-N
MW474.97 g/mol
LogP4.19
Rot. Bonds9

About 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-chlorophenyl)acetamide

2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-chlorophenyl)acetamide (PubChem CID 3646997) has the molecular formula C23H23ClN2O5S and a molecular weight of 474.97 g/mol. Its IUPAC name is 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-chlorophenyl)acetamide
PubChem CID3646997
Molecular FormulaC23H23ClN2O5S
Molecular Weight474.97 g/mol
Exact Mass474.10
IUPAC Name2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-chlorophenyl)acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)Cc2ccccc2)c1
InChIInChI=1S/C23H23ClN2O5S/c1-30-20-11-12-21(31-2)22(14-20)32(28,29)26(15-17-7-4-3-5-8-17)16-23(27)25-19-10-6-9-18(24)13-19/h3-14H,15-16H2,1-2H3,(H,25,27)
InChIKeyLVVFXIKTKMWUSS-UHFFFAOYSA-N
XLogP4.19
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]acetyl]amino]benzoate
CID 126383816
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4287672
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 4562030
N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151312
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 3898762
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 5136984
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3,4-dimethylphenyl)acetamide
CID 4537352
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-butan-2-ylacetamide
CID 4693114
2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(4-bromo-2,6-dimethylphenyl)acetamide
CID 100799319
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[(3-methoxyphenyl)methylideneamino]acetamide
CID 4563517
2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100797990
N-(3-chlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 3642012

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-chlorophenyl)acetamide (CID 3646997) is 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-chlorophenyl)acetamide is COc1ccc(OC)c(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)Cc2ccccc2)c1.
What is the InChIKey of 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-chlorophenyl)acetamide?
The InChIKey is LVVFXIKTKMWUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O5S/c1-30-20-11-12-21(31-2)22(14-20)32(28,29)26(15-17-7-4-3-5-8-17)16-23(27)25-19-10-6-9-18(24)13-19/h3-14H,15-16H2,1-2H3,(H,25,27).
What are the key properties of 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-chlorophenyl)acetamide?
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-chlorophenyl)acetamide has a molecular weight of 474.97 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 3646997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).