N-[4-[[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide

C22H23N3O6S2 — CID 1321618

IUPACN-[4-[[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C22H23N3O6S2/c1-15-4-13-22(31-3)21(14-15)25-33(29,30)20-11-7-18(8-12-20)24-32(27,28)19-9-5-17(6-10-19)23-16(2)26/h4-14,24-25H,1-3H3,(H,23,26)
InChIKeyKIMPDKVUXNPOBG-UHFFFAOYSA-N
MW489.58 g/mol
LogP3.56
Rot. Bonds8

About N-[4-[[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide

N-[4-[[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 1321618) has the molecular formula C22H23N3O6S2 and a molecular weight of 489.58 g/mol. Its IUPAC name is N-[4-[[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
PubChem CID1321618
Molecular FormulaC22H23N3O6S2
Molecular Weight489.58 g/mol
Exact Mass489.10
IUPAC NameN-[4-[[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C22H23N3O6S2/c1-15-4-13-22(31-3)21(14-15)25-33(29,30)20-11-7-18(8-12-20)24-32(27,28)19-9-5-17(6-10-19)23-16(2)26/h4-14,24-25H,1-3H3,(H,23,26)
InChIKeyKIMPDKVUXNPOBG-UHFFFAOYSA-N
XLogP3.56
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N4-Acetyl-N1-(2-methoxyphenyl)sulfanilamide
CID 668310
2-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)acetamide
CID 822776
(2E)-3-(3,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1294363
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl-, ammonium salt (1:1)
CID 175114
(2E)-2-cyano-3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 17371280
4-methoxy-N-(2-methoxy-5-methylphenyl)-3-[(1-methylpiperidin-4-yl)amino]benzenesulfonamide
CID 49863190
N-(2-fluoro-4-sulfamoylphenyl)-2-(4-methoxyphenyl)acetamide
CID 71764402
(2E)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide
CID 155521462
N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide
CID 2535092
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 3647605
N-[[4-[(2-methoxy-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]phenyl]methyl]acetamide
CID 4689808

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide (CID 1321618) is N-[4-[[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide is COc1ccc(C)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is KIMPDKVUXNPOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O6S2/c1-15-4-13-22(31-3)21(14-15)25-33(29,30)20-11-7-18(8-12-20)24-32(27,28)19-9-5-17(6-10-19)23-16(2)26/h4-14,24-25H,1-3H3,(H,23,26).
What are the key properties of N-[4-[[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 489.58 g/mol, XLogP of 3.56, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 1321618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).