2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenoxy]-N-(2,2-dimethylpropyl)acetamide

C20H25ClN2O4S — CID 100800515

IUPAC2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenoxy]-N-(2,2-dimethylpropyl)acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCC(C)(C)C)cc2)cc1Cl
InChIInChI=1S/C20H25ClN2O4S/c1-14-5-6-15(11-18(14)21)23-28(25,26)17-9-7-16(8-10-17)27-12-19(24)22-13-20(2,3)4/h5-11,23H,12-13H2,1-4H3,(H,22,24)
InChIKeySVIOZWGQWJMUSI-UHFFFAOYSA-N
MW424.95 g/mol
LogP3.99
Rot. Bonds7

About 2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenoxy]-N-(2,2-dimethylpropyl)acetamide

2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenoxy]-N-(2,2-dimethylpropyl)acetamide (PubChem CID 100800515) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is 2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenoxy]-N-(2,2-dimethylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenoxy]-N-(2,2-dimethylpropyl)acetamide
PubChem CID100800515
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC Name2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenoxy]-N-(2,2-dimethylpropyl)acetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCC(C)(C)C)cc2)cc1Cl
InChIInChI=1S/C20H25ClN2O4S/c1-14-5-6-15(11-18(14)21)23-28(25,26)17-9-7-16(8-10-17)27-12-19(24)22-13-20(2,3)4/h5-11,23H,12-13H2,1-4H3,(H,22,24)
InChIKeySVIOZWGQWJMUSI-UHFFFAOYSA-N
XLogP3.99
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethylpropyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 100800861
2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-(2,2-dimethylpropyl)acetamide
CID 100796845
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-methylacetamide
CID 4015513
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(2,2-dimethylpropyl)acetamide
CID 100800978
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-ethylacetamide
CID 4238795
N-(3,4-difluorophenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 28553221
2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
CID 100800518
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-(pyridin-2-ylmethyl)acetamide
CID 27186819
N-(4-bromo-2,6-dimethylphenyl)-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 100800533
methyl 2-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenoxy]acetate
CID 1210695
N-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide
CID 43332040
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 126393350

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenoxy]-N-(2,2-dimethylpropyl)acetamide?
The IUPAC name of 2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenoxy]-N-(2,2-dimethylpropyl)acetamide (CID 100800515) is 2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenoxy]-N-(2,2-dimethylpropyl)acetamide.
What is the SMILES notation for 2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenoxy]-N-(2,2-dimethylpropyl)acetamide?
The canonical SMILES for 2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenoxy]-N-(2,2-dimethylpropyl)acetamide is Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCC(C)(C)C)cc2)cc1Cl.
What is the InChIKey of 2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenoxy]-N-(2,2-dimethylpropyl)acetamide?
The InChIKey is SVIOZWGQWJMUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-14-5-6-15(11-18(14)21)23-28(25,26)17-9-7-16(8-10-17)27-12-19(24)22-13-20(2,3)4/h5-11,23H,12-13H2,1-4H3,(H,22,24).
What are the key properties of 2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenoxy]-N-(2,2-dimethylpropyl)acetamide?
2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenoxy]-N-(2,2-dimethylpropyl)acetamide has a molecular weight of 424.95 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenoxy]-N-(2,2-dimethylpropyl)acetamide is sourced from PubChem (CID 100800515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).