2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-cycloheptylacetamide

C23H30N2O4S — CID 126394650

IUPAC2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-cycloheptylacetamide
SMILESCc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NC1CCCCCC1
InChIInChI=1S/C23H30N2O4S/c1-18-15-21(30(27,28)24-16-19-9-5-4-6-10-19)13-14-22(18)29-17-23(26)25-20-11-7-2-3-8-12-20/h4-6,9-10,13-15,20,24H,2-3,7-8,11-12,16-17H2,1H3,(H,25,26)
InChIKeyJJSHEHMVFLXEPS-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.69
Rot. Bonds8

About 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-cycloheptylacetamide

2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-cycloheptylacetamide (PubChem CID 126394650) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-cycloheptylacetamide
PubChem CID126394650
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-cycloheptylacetamide
SMILESCc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NC1CCCCCC1
InChIInChI=1S/C23H30N2O4S/c1-18-15-21(30(27,28)24-16-19-9-5-4-6-10-19)13-14-22(18)29-17-23(26)25-20-11-7-2-3-8-12-20/h4-6,9-10,13-15,20,24H,2-3,7-8,11-12,16-17H2,1H3,(H,25,26)
InChIKeyJJSHEHMVFLXEPS-UHFFFAOYSA-N
XLogP3.69
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide
CID 2237026
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide
CID 3634459
2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetic acid
CID 2228874
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 126395923
2-[4-(benzylsulfamoyl)phenoxy]-N-cyclopropylacetamide
CID 126197548
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(2R)-pentan-2-yl]acetamide
CID 126392144
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,6-diethylphenyl)acetamide
CID 126397975
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 126397596
ethyl 4-[2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetyl]piperazine-1-carboxylate
CID 4315024
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402102
4-[[2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetyl]amino]benzamide
CID 126393732
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30402094

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-cycloheptylacetamide?
The IUPAC name of 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-cycloheptylacetamide (CID 126394650) is 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-cycloheptylacetamide?
The canonical SMILES for 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-cycloheptylacetamide is Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NC1CCCCCC1.
What is the InChIKey of 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-cycloheptylacetamide?
The InChIKey is JJSHEHMVFLXEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-18-15-21(30(27,28)24-16-19-9-5-4-6-10-19)13-14-22(18)29-17-23(26)25-20-11-7-2-3-8-12-20/h4-6,9-10,13-15,20,24H,2-3,7-8,11-12,16-17H2,1H3,(H,25,26).
What are the key properties of 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-cycloheptylacetamide?
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-cycloheptylacetamide has a molecular weight of 430.57 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-cycloheptylacetamide is sourced from PubChem (CID 126394650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).