N-ethyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide

C23H25N3O4S2 — CID 2129230

IUPACN-ethyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C23H25N3O4S2/c1-3-26(17-22(27)24-16-20-10-7-15-31-20)23(28)18-11-13-21(14-12-18)32(29,30)25(2)19-8-5-4-6-9-19/h4-15H,3,16-17H2,1-2H3,(H,24,27)
InChIKeyHRDJVZUVYMLVFX-UHFFFAOYSA-N
MW471.60 g/mol
LogP3.35
Rot. Bonds9

About N-ethyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide

N-ethyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide (PubChem CID 2129230) has the molecular formula C23H25N3O4S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-ethyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
PubChem CID2129230
Molecular FormulaC23H25N3O4S2
Molecular Weight471.60 g/mol
Exact Mass471.13
IUPAC NameN-ethyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C23H25N3O4S2/c1-3-26(17-22(27)24-16-20-10-7-15-31-20)23(28)18-11-13-21(14-12-18)32(29,30)25(2)19-8-5-4-6-9-19/h4-15H,3,16-17H2,1-2H3,(H,24,27)
InChIKeyHRDJVZUVYMLVFX-UHFFFAOYSA-N
XLogP3.35
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ML321
CID 57377246
N-[3-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 8197605
N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9074003
N-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 151826414
N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155566355
5-methyl-N-[4-(methylsulfamoyl)phenyl]thiophene-3-carboxamide
CID 1247495
2-methylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2461859
4-(4-Methylsulfonylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 2526913
N-[(4-sulfamoylphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 2527187
N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide
CID 2811895
N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide
CID 2989171
3-(dimethylsulfamoyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4788844

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The IUPAC name of N-ethyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide (CID 2129230) is N-ethyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide.
What is the SMILES notation for N-ethyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The canonical SMILES for N-ethyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide is CCN(CC(=O)NCc1cccs1)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of N-ethyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The InChIKey is HRDJVZUVYMLVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S2/c1-3-26(17-22(27)24-16-20-10-7-15-31-20)23(28)18-11-13-21(14-12-18)32(29,30)25(2)19-8-5-4-6-9-19/h4-15H,3,16-17H2,1-2H3,(H,24,27).
What are the key properties of N-ethyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
N-ethyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide has a molecular weight of 471.60 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide is sourced from PubChem (CID 2129230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).