2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-cycloheptylacetamide

C23H29ClN2O4S — CID 30130647

IUPAC2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-cycloheptylacetamide
SMILESCS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C23H29ClN2O4S/c1-31(28,29)26(16-18-8-6-7-11-22(18)24)20-12-14-21(15-13-20)30-17-23(27)25-19-9-4-2-3-5-10-19/h6-8,11-15,19H,2-5,9-10,16-17H2,1H3,(H,25,27)
InChIKeyXEUYWZUTFDILBT-UHFFFAOYSA-N
MW465.02 g/mol
LogP4.52
Rot. Bonds8

About 2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-cycloheptylacetamide

2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-cycloheptylacetamide (PubChem CID 30130647) has the molecular formula C23H29ClN2O4S and a molecular weight of 465.02 g/mol. Its IUPAC name is 2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-cycloheptylacetamide
PubChem CID30130647
Molecular FormulaC23H29ClN2O4S
Molecular Weight465.02 g/mol
Exact Mass464.15
IUPAC Name2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-cycloheptylacetamide
SMILESCS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C23H29ClN2O4S/c1-31(28,29)26(16-18-8-6-7-11-22(18)24)20-12-14-21(15-13-20)30-17-23(27)25-19-9-4-2-3-5-10-19/h6-8,11-15,19H,2-5,9-10,16-17H2,1H3,(H,25,27)
InChIKeyXEUYWZUTFDILBT-UHFFFAOYSA-N
XLogP4.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.02
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(E)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 43879830
2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-propan-2-ylacetamide
CID 30130619
N-(2-chlorophenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30130762
2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2,6-diethylphenyl)acetamide
CID 30130962
N-cycloheptyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129266
N-cyclopentyl-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129262
2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methoxyethyl)acetamide
CID 30130659
N-[(2-chlorophenyl)methyl]-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-4-(4-ethoxy-N-methylsulfonylanilino)butanamide
CID 132631712
2-[(2-chlorophenyl)methyl-[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]amino]-N-cyclohexylpropanamide
CID 132635246
N-(3-acetylphenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30130872
N,N-dibenzyl-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 43888618
ethyl 4-[[2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetyl]amino]benzoate
CID 30130866

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-cycloheptylacetamide?
The IUPAC name of 2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-cycloheptylacetamide (CID 30130647) is 2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-cycloheptylacetamide?
The canonical SMILES for 2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-cycloheptylacetamide is CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)NC2CCCCCC2)cc1.
What is the InChIKey of 2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-cycloheptylacetamide?
The InChIKey is XEUYWZUTFDILBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O4S/c1-31(28,29)26(16-18-8-6-7-11-22(18)24)20-12-14-21(15-13-20)30-17-23(27)25-19-9-4-2-3-5-10-19/h6-8,11-15,19H,2-5,9-10,16-17H2,1H3,(H,25,27).
What are the key properties of 2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-cycloheptylacetamide?
2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-cycloheptylacetamide has a molecular weight of 465.02 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-cycloheptylacetamide is sourced from PubChem (CID 30130647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).