N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide

C21H21N3O4S2 — CID 24680132

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C21H21N3O4S2/c1-14-5-3-6-15(2)20(14)23-18(25)13-22-21(26)16-8-10-17(11-9-16)24-30(27,28)19-7-4-12-29-19/h3-12,24H,13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyMZYGDRXEDYOFLY-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.53
Rot. Bonds7

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 24680132) has the molecular formula C21H21N3O4S2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID24680132
Molecular FormulaC21H21N3O4S2
Molecular Weight443.55 g/mol
Exact Mass443.10
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C21H21N3O4S2/c1-14-5-3-6-15(2)20(14)23-18(25)13-22-21(26)16-8-10-17(11-9-16)24-30(27,28)19-7-4-12-29-19/h3-12,24H,13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyMZYGDRXEDYOFLY-UHFFFAOYSA-N
XLogP3.53
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 8840841
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37138088
N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 765837
N-[4-(3-methylbutanoylamino)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 33026888
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27760581
N-[[4-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37316745
N-[[3-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55727615
N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 17470879
4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
CID 2679820
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide
CID 27760143
N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 15997618
N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55490725

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 24680132) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide is Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is MZYGDRXEDYOFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S2/c1-14-5-3-6-15(2)20(14)23-18(25)13-22-21(26)16-8-10-17(11-9-16)24-30(27,28)19-7-4-12-29-19/h3-12,24H,13H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 443.55 g/mol, XLogP of 3.53, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 24680132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).