N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide

C22H24FN3O3S2 — CID 43006754

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C22H24FN3O3S2/c1-15-10-11-16(31(28,29)25-19-8-5-4-7-18(19)23)13-17(15)22(27)24-14-20(26(2)3)21-9-6-12-30-21/h4-13,20,25H,14H2,1-3H3,(H,24,27)
InChIKeyRAQZTCDFGXOAJZ-UHFFFAOYSA-N
MW461.58 g/mol
LogP4.03
Rot. Bonds8

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide (PubChem CID 43006754) has the molecular formula C22H24FN3O3S2 and a molecular weight of 461.58 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
PubChem CID43006754
Molecular FormulaC22H24FN3O3S2
Molecular Weight461.58 g/mol
Exact Mass461.12
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C22H24FN3O3S2/c1-15-10-11-16(31(28,29)25-19-8-5-4-7-18(19)23)13-17(15)22(27)24-14-20(26(2)3)21-9-6-12-30-21/h4-13,20,25H,14H2,1-3H3,(H,24,27)
InChIKeyRAQZTCDFGXOAJZ-UHFFFAOYSA-N
XLogP4.03
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenylpropyl)benzamide
CID 43003232
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide
CID 18161749
propan-2-yl 2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate
CID 56550971
ethyl N-[2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]ethyl]carbamate
CID 56557791
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
CID 55841538
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide
CID 18161860
N-cyclopropyl-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26693958
N-(2-fluorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 34857283
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-[(2-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 25331214
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2496418
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluoro-3-methylbenzamide
CID 63213496
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 24538338

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide (CID 43006754) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NCC(c1cccs1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide?
The InChIKey is RAQZTCDFGXOAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3S2/c1-15-10-11-16(31(28,29)25-19-8-5-4-7-18(19)23)13-17(15)22(27)24-14-20(26(2)3)21-9-6-12-30-21/h4-13,20,25H,14H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide has a molecular weight of 461.58 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 43006754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).