N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide

C21H29N3O5S2 — CID 30837672

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)ccc1C
InChIInChI=1S/C21H29N3O5S2/c1-6-23(7-2)31(28,29)20-14-18(13-12-17(20)4)22-21(25)15-24(30(5,26)27)19-11-9-8-10-16(19)3/h8-14H,6-7,15H2,1-5H3,(H,22,25)
InChIKeyABKATFZHQLTWQR-UHFFFAOYSA-N
MW467.61 g/mol
LogP2.74
Rot. Bonds9

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 30837672) has the molecular formula C21H29N3O5S2 and a molecular weight of 467.61 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
PubChem CID30837672
Molecular FormulaC21H29N3O5S2
Molecular Weight467.61 g/mol
Exact Mass467.15
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)ccc1C
InChIInChI=1S/C21H29N3O5S2/c1-6-23(7-2)31(28,29)20-14-18(13-12-17(20)4)22-21(25)15-24(30(5,26)27)19-11-9-8-10-16(19)3/h8-14H,6-7,15H2,1-5H3,(H,22,25)
InChIKeyABKATFZHQLTWQR-UHFFFAOYSA-N
XLogP2.74
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl(ethyl)amino]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 8541301
N-(3,4-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 3139212
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 126327140
2-(2-methyl-N-methylsulfonylanilino)-N-(4-nitrophenyl)acetamide
CID 2874689
N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 3335724
2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 8574795
N-(3,5-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 8572707
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965560
N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 28589548
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9333516
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dimethylpyridin-1-ium-1-yl)acetamide
CID 8828438
2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide
CID 8771644

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide (CID 30837672) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is ABKATFZHQLTWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5S2/c1-6-23(7-2)31(28,29)20-14-18(13-12-17(20)4)22-21(25)15-24(30(5,26)27)19-11-9-8-10-16(19)3/h8-14H,6-7,15H2,1-5H3,(H,22,25).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 467.61 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30837672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).