[4-[[(4-acetamido-3-methoxyphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium

C19H26N3O4S+ — CID 9191389

IUPAC[4-[[(4-acetamido-3-methoxyphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
SMILESCOc1cc(S(=O)(=O)NCc2ccc(C[NH+](C)C)cc2)ccc1NC(C)=O
InChIInChI=1S/C19H25N3O4S/c1-14(23)21-18-10-9-17(11-19(18)26-4)27(24,25)20-12-15-5-7-16(8-6-15)13-22(2)3/h5-11,20H,12-13H2,1-4H3,(H,21,23)/p+1
InChIKeyANAGWBLISWCYSQ-UHFFFAOYSA-O
MW392.50 g/mol
LogP0.78
Rot. Bonds8

About [4-[[(4-acetamido-3-methoxyphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium

[4-[[(4-acetamido-3-methoxyphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium (PubChem CID 9191389) has the molecular formula C19H26N3O4S+ and a molecular weight of 392.50 g/mol. Its IUPAC name is [4-[[(4-acetamido-3-methoxyphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium.

Molecular Properties

Compound Name[4-[[(4-acetamido-3-methoxyphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
PubChem CID9191389
Molecular FormulaC19H26N3O4S+
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name[4-[[(4-acetamido-3-methoxyphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
SMILESCOc1cc(S(=O)(=O)NCc2ccc(C[NH+](C)C)cc2)ccc1NC(C)=O
InChIInChI=1S/C19H25N3O4S/c1-14(23)21-18-10-9-17(11-19(18)26-4)27(24,25)20-12-15-5-7-16(8-6-15)13-22(2)3/h5-11,20H,12-13H2,1-4H3,(H,21,23)/p+1
InChIKeyANAGWBLISWCYSQ-UHFFFAOYSA-O
XLogP0.78
TPSA88.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[(4-acetamidophenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191327
2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-methylacetamide
CID 9302272
2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189598
[4-[[(3-acetylphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191371
N-[2-methoxy-5-[(6-methoxynaphthalen-2-yl)methylsulfamoyl]phenyl]acetamide
CID 46696333
N-[2-methoxy-5-[(4-piperidin-1-ylphenyl)methylsulfamoyl]phenyl]acetamide
CID 56921177
3-[4-(benzylsulfamoyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide
CID 126237309
methyl 4-(benzylsulfamoyl)-2-methoxybenzoate
CID 66601229
4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 7574386
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 9191426
N-[4-[(2-acetylphenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 8603481
(2R)-2-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-N-ethylpropanamide
CID 8802619

Frequently Asked Questions

What is the IUPAC name of [4-[[(4-acetamido-3-methoxyphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
The IUPAC name of [4-[[(4-acetamido-3-methoxyphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium (CID 9191389) is [4-[[(4-acetamido-3-methoxyphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium.
What is the SMILES notation for [4-[[(4-acetamido-3-methoxyphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
The canonical SMILES for [4-[[(4-acetamido-3-methoxyphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium is COc1cc(S(=O)(=O)NCc2ccc(C[NH+](C)C)cc2)ccc1NC(C)=O.
What is the InChIKey of [4-[[(4-acetamido-3-methoxyphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
The InChIKey is ANAGWBLISWCYSQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H25N3O4S/c1-14(23)21-18-10-9-17(11-19(18)26-4)27(24,25)20-12-15-5-7-16(8-6-15)13-22(2)3/h5-11,20H,12-13H2,1-4H3,(H,21,23)/p+1.
What are the key properties of [4-[[(4-acetamido-3-methoxyphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium?
[4-[[(4-acetamido-3-methoxyphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium has a molecular weight of 392.50 g/mol, XLogP of 0.78, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4-acetamido-3-methoxyphenyl)sulfonylamino]methyl]phenyl]methyl-dimethylazanium is sourced from PubChem (CID 9191389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).