N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(4-sulfamoylphenyl)acetamide

C20H25N3O4S — CID 56540885

IUPACN-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(4-sulfamoylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)Cc2ccc(S(N)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C20H25N3O4S/c1-13-9-14(2)20(15(3)10-13)22-18(24)12-23(4)19(25)11-16-5-7-17(8-6-16)28(21,26)27/h5-10H,11-12H2,1-4H3,(H,22,24)(H2,21,26,27)
InChIKeyVSTHMOSSDMONME-UHFFFAOYSA-N
MW403.50 g/mol
LogP1.90
Rot. Bonds6

About N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(4-sulfamoylphenyl)acetamide

N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(4-sulfamoylphenyl)acetamide (PubChem CID 56540885) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(4-sulfamoylphenyl)acetamide
PubChem CID56540885
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(4-sulfamoylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)Cc2ccc(S(N)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C20H25N3O4S/c1-13-9-14(2)20(15(3)10-13)22-18(24)12-23(4)19(25)11-16-5-7-17(8-6-16)28(21,26)27/h5-10H,11-12H2,1-4H3,(H,22,24)(H2,21,26,27)
InChIKeyVSTHMOSSDMONME-UHFFFAOYSA-N
XLogP1.90
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide
CID 56511069
2-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 119291379
N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 26714971
2-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 38920307
2-[N-methyl-4-sulfamoyl-2-(trifluoromethyl)anilino]-N-(2,4,6-trimethylphenyl)acetamide
CID 133359127
N-methyl-2-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 8752580
2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 100787274
2-[methyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 30464677
2-amino-N-methyl-2-(4-methylphenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 120667422
N-(2-chloro-4,6-dimethylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002577
methyl N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-2-oxoethyl]carbamate
CID 75415569
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(4-sulfamoylphenyl)acetamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(4-sulfamoylphenyl)acetamide (CID 56540885) is N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(4-sulfamoylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(C)C(=O)Cc2ccc(S(N)(=O)=O)cc2)c(C)c1.
What is the InChIKey of N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(4-sulfamoylphenyl)acetamide?
The InChIKey is VSTHMOSSDMONME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-13-9-14(2)20(15(3)10-13)22-18(24)12-23(4)19(25)11-16-5-7-17(8-6-16)28(21,26)27/h5-10H,11-12H2,1-4H3,(H,22,24)(H2,21,26,27).
What are the key properties of N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(4-sulfamoylphenyl)acetamide?
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(4-sulfamoylphenyl)acetamide has a molecular weight of 403.50 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 56540885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).