2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-thiophen-2-ylethyl)benzamide

C21H22N2O3S2 — CID 35990962

IUPAC2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-thiophen-2-ylethyl)benzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCCc2cccs2)c1
InChIInChI=1S/C21H22N2O3S2/c1-15-9-10-16(2)20(14-15)28(25,26)23-19-8-4-3-7-18(19)21(24)22-12-11-17-6-5-13-27-17/h3-10,13-14,23H,11-12H2,1-2H3,(H,22,24)
InChIKeyIGBOFKSGGJKQQN-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.14
Rot. Bonds7

About 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-thiophen-2-ylethyl)benzamide

2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 35990962) has the molecular formula C21H22N2O3S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID35990962
Molecular FormulaC21H22N2O3S2
Molecular Weight414.55 g/mol
Exact Mass414.11
IUPAC Name2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-thiophen-2-ylethyl)benzamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCCc2cccs2)c1
InChIInChI=1S/C21H22N2O3S2/c1-15-9-10-16(2)20(14-15)28(25,26)23-19-8-4-3-7-18(19)21(24)22-12-11-17-6-5-13-27-17/h3-10,13-14,23H,11-12H2,1-2H3,(H,22,24)
InChIKeyIGBOFKSGGJKQQN-UHFFFAOYSA-N
XLogP4.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 35990783
2-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 55959451
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 112770794
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 29238976
N-(3,5-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 2333532
N-[3-(diethylcarbamoyl)phenyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 55629211
2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide
CID 167960615
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4303867
N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-thiophen-2-ylacetamide
CID 7908243
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide
CID 55955299
2-[(2-methyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 40690037
2,5-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663235

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-thiophen-2-ylethyl)benzamide (CID 35990962) is 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-thiophen-2-ylethyl)benzamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCCc2cccs2)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is IGBOFKSGGJKQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S2/c1-15-9-10-16(2)20(14-15)28(25,26)23-19-8-4-3-7-18(19)21(24)22-12-11-17-6-5-13-27-17/h3-10,13-14,23H,11-12H2,1-2H3,(H,22,24).
What are the key properties of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-thiophen-2-ylethyl)benzamide?
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 414.55 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 35990962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).