2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide

C19H25N3O6S2 — CID 3619640

IUPAC2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide
SMILESCc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H25N3O6S2/c1-13(2)11-21-30(26,27)17-8-9-18(14(3)10-17)28-12-19(23)22-15-4-6-16(7-5-15)29(20,24)25/h4-10,13,21H,11-12H2,1-3H3,(H,22,23)(H2,20,24,25)
InChIKeyRPGOHIVIBKJESE-UHFFFAOYSA-N
MW455.56 g/mol
LogP1.59
Rot. Bonds9

About 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide

2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 3619640) has the molecular formula C19H25N3O6S2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide
PubChem CID3619640
Molecular FormulaC19H25N3O6S2
Molecular Weight455.56 g/mol
Exact Mass455.12
IUPAC Name2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide
SMILESCc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H25N3O6S2/c1-13(2)11-21-30(26,27)17-8-9-18(14(3)10-17)28-12-19(23)22-15-4-6-16(7-5-15)29(20,24)25/h4-10,13,21H,11-12H2,1-3H3,(H,22,23)(H2,20,24,25)
InChIKeyRPGOHIVIBKJESE-UHFFFAOYSA-N
XLogP1.59
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 1243560
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 1266199
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 28554818
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 99968022
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-nitrophenyl)acetamide
CID 1254790
N-(2,6-dichlorophenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 5001110
N-(2-methoxyethyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126385177
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906385
N-(4-methoxyphenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 3961591
N-(4-methylphenyl)-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126212360
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 28554766
4-[[2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetyl]amino]benzamide
CID 126393732

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide (CID 3619640) is 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide is Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is RPGOHIVIBKJESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6S2/c1-13(2)11-21-30(26,27)17-8-9-18(14(3)10-17)28-12-19(23)22-15-4-6-16(7-5-15)29(20,24)25/h4-10,13,21H,11-12H2,1-3H3,(H,22,23)(H2,20,24,25).
What are the key properties of 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide?
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 455.56 g/mol, XLogP of 1.59, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 3619640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).