N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide

C27H33N3O5S2 — CID 126254789

IUPACN-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H33N3O5S2/c1-6-29(7-2)36(32,33)24-16-12-23(13-17-24)28-27(31)19-30(26-18-21(4)8-11-22(26)5)37(34,35)25-14-9-20(3)10-15-25/h8-18H,6-7,19H2,1-5H3,(H,28,31)
InChIKeyFBDVVZMNLKLKKI-UHFFFAOYSA-N
MW543.71 g/mol
LogP4.48
Rot. Bonds10

About N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide

N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 126254789) has the molecular formula C27H33N3O5S2 and a molecular weight of 543.71 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID126254789
Molecular FormulaC27H33N3O5S2
Molecular Weight543.71 g/mol
Exact Mass543.19
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H33N3O5S2/c1-6-29(7-2)36(32,33)24-16-12-23(13-17-24)28-27(31)19-30(26-18-21(4)8-11-22(26)5)37(34,35)25-14-9-20(3)10-15-25/h8-18H,6-7,19H2,1-5H3,(H,28,31)
InChIKeyFBDVVZMNLKLKKI-UHFFFAOYSA-N
XLogP4.48
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.71
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(4-phenylphenyl)acetamide
CID 30173912
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30170588
N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 21368260
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 126327140
N-[4-[(2,5-dimethylphenyl)-ethylsulfamoyl]phenyl]acetamide
CID 94622687
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 846688
2-[[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2459457
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4151402
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
CID 1309384
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(3-methylphenyl)acetamide
CID 1372321
N-[(2S)-butan-2-yl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2272420
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 30170549

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 126254789) is N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is FBDVVZMNLKLKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O5S2/c1-6-29(7-2)36(32,33)24-16-12-23(13-17-24)28-27(31)19-30(26-18-21(4)8-11-22(26)5)37(34,35)25-14-9-20(3)10-15-25/h8-18H,6-7,19H2,1-5H3,(H,28,31).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 543.71 g/mol, XLogP of 4.48, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 126254789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).