N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(3,5-dimethylanilino)acetamide

C21H29N3O3S — CID 25486173

IUPACN-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(3,5-dimethylanilino)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CNc2cc(C)cc(C)c2)c1
InChIInChI=1S/C21H29N3O3S/c1-6-24(7-2)28(26,27)19-9-8-17(5)20(13-19)23-21(25)14-22-18-11-15(3)10-16(4)12-18/h8-13,22H,6-7,14H2,1-5H3,(H,23,25)
InChIKeyFECFZKPRYVRVQD-UHFFFAOYSA-N
MW403.55 g/mol
LogP3.69
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(3,5-dimethylanilino)acetamide

N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(3,5-dimethylanilino)acetamide (PubChem CID 25486173) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(3,5-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(3,5-dimethylanilino)acetamide
PubChem CID25486173
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC NameN-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(3,5-dimethylanilino)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CNc2cc(C)cc(C)c2)c1
InChIInChI=1S/C21H29N3O3S/c1-6-24(7-2)28(26,27)19-9-8-17(5)20(13-19)23-21(25)14-22-18-11-15(3)10-16(4)12-18/h8-13,22H,6-7,14H2,1-5H3,(H,23,25)
InChIKeyFECFZKPRYVRVQD-UHFFFAOYSA-N
XLogP3.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-methylanilino]acetamide
CID 17396256
2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084
methyl 3-[[2-[5-(diethylsulfamoyl)-2-methylanilino]acetyl]amino]-4-methylbenzoate
CID 17392379
2-[5-(diethylsulfamoyl)-2-methylanilino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9100235
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,5-dimethylanilino)acetamide
CID 26505603
1-[5-(diethylsulfamoyl)-2-methylphenyl]-3-methylthiourea
CID 8628352
N-[4-(diethylsulfamoyl)phenyl]-2-(3-fluoro-4-methylanilino)acetamide
CID 9100034
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 4-methylbenzoate
CID 7971596
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 7819474
2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 9394014
N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(2,5-dimethylphenoxy)propanamide
CID 7929037
N-[2-[5-(diethylsulfamoyl)-2-hydroxyanilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 35995593

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(3,5-dimethylanilino)acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(3,5-dimethylanilino)acetamide (CID 25486173) is N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(3,5-dimethylanilino)acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(3,5-dimethylanilino)acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(3,5-dimethylanilino)acetamide is CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CNc2cc(C)cc(C)c2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(3,5-dimethylanilino)acetamide?
The InChIKey is FECFZKPRYVRVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-6-24(7-2)28(26,27)19-9-8-17(5)20(13-19)23-21(25)14-22-18-11-15(3)10-16(4)12-18/h8-13,22H,6-7,14H2,1-5H3,(H,23,25).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(3,5-dimethylanilino)acetamide?
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(3,5-dimethylanilino)acetamide has a molecular weight of 403.55 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(3,5-dimethylanilino)acetamide is sourced from PubChem (CID 25486173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).