2-(2,6-dimethylphenoxy)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide

C21H28N2O4S — CID 47731753

IUPAC2-(2,6-dimethylphenoxy)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide
SMILESCc1cccc(C)c1OCC(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C21H28N2O4S/c1-15(2)23(5)28(25,26)19-11-9-18(10-12-19)13-22-20(24)14-27-21-16(3)7-6-8-17(21)4/h6-12,15H,13-14H2,1-5H3,(H,22,24)
InChIKeyYEMRSEKHTCLHDR-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.03
Rot. Bonds8

About 2-(2,6-dimethylphenoxy)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide

2-(2,6-dimethylphenoxy)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide (PubChem CID 47731753) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide
PubChem CID47731753
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name2-(2,6-dimethylphenoxy)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide
SMILESCc1cccc(C)c1OCC(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C21H28N2O4S/c1-15(2)23(5)28(25,26)19-11-9-18(10-12-19)13-22-20(24)14-27-21-16(3)7-6-8-17(21)4/h6-12,15H,13-14H2,1-5H3,(H,22,24)
InChIKeyYEMRSEKHTCLHDR-UHFFFAOYSA-N
XLogP3.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethoxyphenyl)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]propanamide
CID 47731816
2-(2,6-dimethylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294910
2-amino-3-methyl-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]pentanamide;hydrochloride
CID 119748877
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 55846808
2-(4-chlorophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 30125973
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-propylsulfonylpropanamide
CID 47732115
2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 171381792
2-(2,6-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495693
N-(3-aminopropyl)-4-[[[2-(2,6-dimethylphenoxy)acetyl]amino]methyl]benzamide
CID 82097491
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 60584976
2-(2,6-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 46761712
4-[[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methylamino]methyl]benzoic acid
CID 122030686

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide (CID 47731753) is 2-(2,6-dimethylphenoxy)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide is Cc1cccc(C)c1OCC(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide?
The InChIKey is YEMRSEKHTCLHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-15(2)23(5)28(25,26)19-11-9-18(10-12-19)13-22-20(24)14-27-21-16(3)7-6-8-17(21)4/h6-12,15H,13-14H2,1-5H3,(H,22,24).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide?
2-(2,6-dimethylphenoxy)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide has a molecular weight of 404.53 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]acetamide is sourced from PubChem (CID 47731753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).