2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-sulfamoylphenyl)acetamide

C18H23N3O6S2 — CID 2238215

IUPAC2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-sulfamoylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C18H23N3O6S2/c1-4-21(29(25,26)17-11-13(2)5-10-16(17)27-3)12-18(22)20-14-6-8-15(9-7-14)28(19,23)24/h5-11H,4,12H2,1-3H3,(H,20,22)(H2,19,23,24)
InChIKeyXHIRGVIEXLICHX-UHFFFAOYSA-N
MW441.53 g/mol
LogP1.30
Rot. Bonds8

About 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-sulfamoylphenyl)acetamide

2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 2238215) has the molecular formula C18H23N3O6S2 and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-sulfamoylphenyl)acetamide
PubChem CID2238215
Molecular FormulaC18H23N3O6S2
Molecular Weight441.53 g/mol
Exact Mass441.10
IUPAC Name2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-sulfamoylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C18H23N3O6S2/c1-4-21(29(25,26)17-11-13(2)5-10-16(17)27-3)12-18(22)20-14-6-8-15(9-7-14)28(19,23)24/h5-11H,4,12H2,1-3H3,(H,20,22)(H2,19,23,24)
InChIKeyXHIRGVIEXLICHX-UHFFFAOYSA-N
XLogP1.30
TPSA135.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Act-462206
CID 40924317
2-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)acetamide
CID 822776
(2E)-3-(3,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 1294363
N-[(5S)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]-2-[N-[(4-methoxyphenyl)methyl]anilino]acetamide
CID 508698
(2E)-2-cyano-3-(4-methoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 17371280
(2E)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide
CID 155521462
N-(4-((2-(4-Methoxybenzylidene)hydrazino)sulfonyl)phenyl)acetamide
CID 6473971
2-(N-Benzyl4-methoxybenzenesulfonamido)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1119952
N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1359892
2-[N-(4-Methoxyphenyl)benzenesulfonamido]-N-(2-{[(4-methylphenyl)methyl]sulfanyl}ethyl)acetamide
CID 2250010
N-(2,5-Dimethylphenyl)-2-[N-(2-phenylethyl)4-methoxybenzenesulfonamido]acetamide
CID 2878889
N-(4-methoxybenzyl)-1-((4-(2-oxopyrrolidin-1-yl)phenyl)sulfonyl)piperidine-4-carboxamide
CID 16422713

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-sulfamoylphenyl)acetamide (CID 2238215) is 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-sulfamoylphenyl)acetamide is CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1cc(C)ccc1OC.
What is the InChIKey of 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is XHIRGVIEXLICHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O6S2/c1-4-21(29(25,26)17-11-13(2)5-10-16(17)27-3)12-18(22)20-14-6-8-15(9-7-14)28(19,23)24/h5-11H,4,12H2,1-3H3,(H,20,22)(H2,19,23,24).
What are the key properties of 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-sulfamoylphenyl)acetamide?
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 441.53 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 2238215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).