4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide

C21H21Cl2N3O3S2 — CID 4969477

IUPAC4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide
SMILESCN(C)C(CNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1)c1ccccc1
InChIInChI=1S/C21H21Cl2N3O3S2/c1-26(2)17(14-6-4-3-5-7-14)13-24-21(27)15-8-10-16(11-9-15)25-31(28,29)18-12-19(22)30-20(18)23/h3-12,17,25H,13H2,1-2H3,(H,24,27)
InChIKeyYOEAANAIFRYKAT-UHFFFAOYSA-N
MW498.46 g/mol
LogP4.89
Rot. Bonds8

About 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide

4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide (PubChem CID 4969477) has the molecular formula C21H21Cl2N3O3S2 and a molecular weight of 498.46 g/mol. Its IUPAC name is 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide.

Molecular Properties

Compound Name4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide
PubChem CID4969477
Molecular FormulaC21H21Cl2N3O3S2
Molecular Weight498.46 g/mol
Exact Mass497.04
IUPAC Name4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide
SMILESCN(C)C(CNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1)c1ccccc1
InChIInChI=1S/C21H21Cl2N3O3S2/c1-26(2)17(14-6-4-3-5-7-14)13-24-21(27)15-8-10-16(11-9-15)25-31(28,29)18-12-19(22)30-20(18)23/h3-12,17,25H,13H2,1-2H3,(H,24,27)
InChIKeyYOEAANAIFRYKAT-UHFFFAOYSA-N
XLogP4.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.46
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24536278
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 2475991
N-[2-(dimethylamino)-2-phenylethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 24818233
N-[(2-chlorophenyl)methyl]-4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-methylbenzamide
CID 2687844
N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide
CID 24536279
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 25391329
N-[2-(dimethylamino)-2-phenylethyl]-5-iodothiophene-3-carboxamide
CID 78949054
4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 45001444
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
2,5-dichloro-N-(2-phenylpropyl)thiophene-3-sulfonamide
CID 55365000
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 43018910
N-[2-(dimethylamino)-2-phenylethyl]-4-(methylsulfonylmethyl)benzamide
CID 51153670

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide?
The IUPAC name of 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide (CID 4969477) is 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide.
What is the SMILES notation for 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide?
The canonical SMILES for 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide is CN(C)C(CNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1)c1ccccc1.
What is the InChIKey of 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide?
The InChIKey is YOEAANAIFRYKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O3S2/c1-26(2)17(14-6-4-3-5-7-14)13-24-21(27)15-8-10-16(11-9-15)25-31(28,29)18-12-19(22)30-20(18)23/h3-12,17,25H,13H2,1-2H3,(H,24,27).
What are the key properties of 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide?
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide has a molecular weight of 498.46 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-[2-(dimethylamino)-2-phenylethyl]benzamide is sourced from PubChem (CID 4969477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).