2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(oxolan-2-ylmethyl)acetamide

C20H30N2O5S — CID 2982475

IUPAC2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCC1CCCO1
InChIInChI=1S/C20H30N2O5S/c1-15-12-18(28(24,25)22-16-6-3-2-4-7-16)9-10-19(15)27-14-20(23)21-13-17-8-5-11-26-17/h9-10,12,16-17,22H,2-8,11,13-14H2,1H3,(H,21,23)
InChIKeyTUDGEJZIBYSCMT-UHFFFAOYSA-N
MW410.54 g/mol
LogP2.28
Rot. Bonds8

About 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(oxolan-2-ylmethyl)acetamide

2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2982475) has the molecular formula C20H30N2O5S and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2982475
Molecular FormulaC20H30N2O5S
Molecular Weight410.54 g/mol
Exact Mass410.19
IUPAC Name2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCC1CCCO1
InChIInChI=1S/C20H30N2O5S/c1-15-12-18(28(24,25)22-16-6-3-2-4-7-16)9-10-19(15)27-14-20(23)21-13-17-8-5-11-26-17/h9-10,12,16-17,22H,2-8,11,13-14H2,1H3,(H,21,23)
InChIKeyTUDGEJZIBYSCMT-UHFFFAOYSA-N
XLogP2.28
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-[[(2S)-2-phenylmethoxypropanoyl]amino]pyrrolidine-2-carboxamide
CID 10695971
N-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082958
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-cyclopropylacetamide
CID 1210664
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-cyclopentylacetamide
CID 1005556
N-[2-(4-methoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1084089
N-[2-(1-cyclohexen-1-yl)ethyl]-2-{4-[(cyclohexylamino)sulfonyl]phenoxy}acetamide
CID 1210584
N-(4-methoxybenzyl)-2-[4-(piperidin-1-ylsulfonyl)phenoxy]acetamide
CID 1252432
4-[2-oxo-2-(1-pyrrolidinyl)ethoxy]-N-(2-phenylethyl)benzenesulfonamide
CID 1314518
N-(4-methylbenzyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 1319379
N-benzyl-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 2111388
4-{[2-Methyl-4-(1-pyrrolidinylsulfonyl)phenoxy]acetyl}morpholine
CID 2226440
1-[(4-methoxyphenyl)sulfonyl]-N-(tetrahydro-2-furanylmethyl)-4-piperidinecarboxamide
CID 2925242

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(oxolan-2-ylmethyl)acetamide (CID 2982475) is 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(oxolan-2-ylmethyl)acetamide is Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCC1CCCO1.
What is the InChIKey of 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is TUDGEJZIBYSCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5S/c1-15-12-18(28(24,25)22-16-6-3-2-4-7-16)9-10-19(15)27-14-20(23)21-13-17-8-5-11-26-17/h9-10,12,16-17,22H,2-8,11,13-14H2,1H3,(H,21,23).
What are the key properties of 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(oxolan-2-ylmethyl)acetamide?
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 410.54 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2982475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).