N-(3-methylsulfonylphenyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide

C18H22N2O6S2 — CID 55975417

IUPACN-(3-methylsulfonylphenyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
SMILESCC(C)Oc1ccc(NS(=O)(=O)CC(=O)Nc2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C18H22N2O6S2/c1-13(2)26-16-9-7-14(8-10-16)20-28(24,25)12-18(21)19-15-5-4-6-17(11-15)27(3,22)23/h4-11,13,20H,12H2,1-3H3,(H,19,21)
InChIKeyBRODOGHUPGQGEW-UHFFFAOYSA-N
MW426.52 g/mol
LogP2.26
Rot. Bonds8

About N-(3-methylsulfonylphenyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide

N-(3-methylsulfonylphenyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide (PubChem CID 55975417) has the molecular formula C18H22N2O6S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
PubChem CID55975417
Molecular FormulaC18H22N2O6S2
Molecular Weight426.52 g/mol
Exact Mass426.09
IUPAC NameN-(3-methylsulfonylphenyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
SMILESCC(C)Oc1ccc(NS(=O)(=O)CC(=O)Nc2cccc(S(C)(=O)=O)c2)cc1
InChIInChI=1S/C18H22N2O6S2/c1-13(2)26-16-9-7-14(8-10-16)20-28(24,25)12-18(21)19-15-5-4-6-17(11-15)27(3,22)23/h4-11,13,20H,12H2,1-3H3,(H,19,21)
InChIKeyBRODOGHUPGQGEW-UHFFFAOYSA-N
XLogP2.26
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]phenyl]pyridine-4-carboxamide
CID 55966179
N-(4-methylphenyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 55826239
3-methyl-2-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]pentanoic acid
CID 119212048
[2-oxo-2-(3-sulfamoylanilino)ethyl] 4-propan-2-yloxybenzoate
CID 7193300
2,4-difluoro-5-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]benzamide
CID 56573264
(3-methylsulfonylphenyl)carbamothioic S-acid
CID 87640544
4-amino-3-methyl-N-(3-methylsulfonylphenyl)butanamide
CID 81075894
N-(3-methylsulfonylphenyl)-3-(propan-2-ylamino)propanamide
CID 54862201
N-(3-methylsulfonylphenyl)-2-phenoxyacetamide
CID 26722723
N'-(3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide
CID 108955570
N-(3-methylsulfonylphenyl)butanamide
CID 37391541
2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9137559

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide?
The IUPAC name of N-(3-methylsulfonylphenyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide (CID 55975417) is N-(3-methylsulfonylphenyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide is CC(C)Oc1ccc(NS(=O)(=O)CC(=O)Nc2cccc(S(C)(=O)=O)c2)cc1.
What is the InChIKey of N-(3-methylsulfonylphenyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide?
The InChIKey is BRODOGHUPGQGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6S2/c1-13(2)26-16-9-7-14(8-10-16)20-28(24,25)12-18(21)19-15-5-4-6-17(11-15)27(3,22)23/h4-11,13,20H,12H2,1-3H3,(H,19,21).
What are the key properties of N-(3-methylsulfonylphenyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide?
N-(3-methylsulfonylphenyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide has a molecular weight of 426.52 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide is sourced from PubChem (CID 55975417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).