N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,5-dimethylanilino)acetamide

C21H29N3O4S — CID 26505603

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,5-dimethylanilino)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CNc2cc(C)ccc2C)c1
InChIInChI=1S/C21H29N3O4S/c1-6-24(7-2)29(26,27)17-10-11-20(28-5)19(13-17)23-21(25)14-22-18-12-15(3)8-9-16(18)4/h8-13,22H,6-7,14H2,1-5H3,(H,23,25)
InChIKeyASIQHMODIFLVCO-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.39
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,5-dimethylanilino)acetamide

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,5-dimethylanilino)acetamide (PubChem CID 26505603) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,5-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,5-dimethylanilino)acetamide
PubChem CID26505603
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,5-dimethylanilino)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CNc2cc(C)ccc2C)c1
InChIInChI=1S/C21H29N3O4S/c1-6-24(7-2)29(26,27)17-10-11-20(28-5)19(13-17)23-21(25)14-22-18-12-15(3)8-9-16(18)4/h8-13,22H,6-7,14H2,1-5H3,(H,23,25)
InChIKeyASIQHMODIFLVCO-UHFFFAOYSA-N
XLogP3.39
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(diethylsulfamoyl)-N-(2,5-dimethylphenyl)-2-methoxybenzamide
CID 19257768
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(naphthalen-1-ylamino)acetamide
CID 24510599
2-(2,5-dichloroanilino)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 24510593
methyl 3-[[2-[5-(diethylsulfamoyl)-2-methylanilino]acetyl]amino]-4-methylbenzoate
CID 17392379
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 100781520
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 45372136
5-(diethylsulfamoyl)-2-fluoro-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 46555537
N-(5-chloro-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-methylanilino]acetamide
CID 17396256
2-[4-(diethylsulfamoyl)anilino]-N-(2,5-dimethoxyphenyl)acetamide
CID 9084037
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 2793125
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(2-methoxyphenyl)acetamide
CID 9100537
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-methylsulfanylacetamide
CID 17407665

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,5-dimethylanilino)acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,5-dimethylanilino)acetamide (CID 26505603) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,5-dimethylanilino)acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,5-dimethylanilino)acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,5-dimethylanilino)acetamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CNc2cc(C)ccc2C)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,5-dimethylanilino)acetamide?
The InChIKey is ASIQHMODIFLVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-6-24(7-2)29(26,27)17-10-11-20(28-5)19(13-17)23-21(25)14-22-18-12-15(3)8-9-16(18)4/h8-13,22H,6-7,14H2,1-5H3,(H,23,25).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,5-dimethylanilino)acetamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,5-dimethylanilino)acetamide has a molecular weight of 419.55 g/mol, XLogP of 3.39, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,5-dimethylanilino)acetamide is sourced from PubChem (CID 26505603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).