N-methyl-2-[4-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]phenyl]acetamide

C19H24N2O4S — CID 87026713

IUPACN-methyl-2-[4-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]phenyl]acetamide
SMILESCNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1
InChIInChI=1S/C19H24N2O4S/c1-13(2)25-18-10-9-17(11-14(18)3)26(23,24)21-16-7-5-15(6-8-16)12-19(22)20-4/h5-11,13,21H,12H2,1-4H3,(H,20,22)
InChIKeyXIIRXFUEEGHLJR-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.87
Rot. Bonds7

About N-methyl-2-[4-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]phenyl]acetamide

N-methyl-2-[4-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]phenyl]acetamide (PubChem CID 87026713) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-methyl-2-[4-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]phenyl]acetamide
PubChem CID87026713
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-methyl-2-[4-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]phenyl]acetamide
SMILESCNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1
InChIInChI=1S/C19H24N2O4S/c1-13(2)25-18-10-9-17(11-14(18)3)26(23,24)21-16-7-5-15(6-8-16)12-19(22)20-4/h5-11,13,21H,12H2,1-4H3,(H,20,22)
InChIKeyXIIRXFUEEGHLJR-UHFFFAOYSA-N
XLogP2.87
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 110758195
3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide
CID 60764228
N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 82294732
2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid
CID 43362323
3-methyl-N-(2-methyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758191
N-(3-hydroxybutyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 64911448
N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 43258959
N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 102697438
ethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetate
CID 60817410
2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]butanoic acid
CID 43470047
N-(1H-indazol-6-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 110758188
N-(2-hydroxypentyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 115754460

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-methyl-2-[4-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]phenyl]acetamide (CID 87026713) is N-methyl-2-[4-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-methyl-2-[4-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]phenyl]acetamide is CNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1.
What is the InChIKey of N-methyl-2-[4-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is XIIRXFUEEGHLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-13(2)25-18-10-9-17(11-14(18)3)26(23,24)21-16-7-5-15(6-8-16)12-19(22)20-4/h5-11,13,21H,12H2,1-4H3,(H,20,22).
What are the key properties of N-methyl-2-[4-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]phenyl]acetamide?
N-methyl-2-[4-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 376.48 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 87026713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).