N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-(diethylsulfamoyl)benzamide

C20H26N2O4S2 — CID 90497084

IUPACN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(O)(c2cccs2)C2CC2)cc1
InChIInChI=1S/C20H26N2O4S2/c1-3-22(4-2)28(25,26)17-11-7-15(8-12-17)19(23)21-14-20(24,16-9-10-16)18-6-5-13-27-18/h5-8,11-13,16,24H,3-4,9-10,14H2,1-2H3,(H,21,23)
InChIKeyRGOQTYFDKRIFBD-UHFFFAOYSA-N
MW422.57 g/mol
LogP2.81
Rot. Bonds9

About N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-(diethylsulfamoyl)benzamide

N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-(diethylsulfamoyl)benzamide (PubChem CID 90497084) has the molecular formula C20H26N2O4S2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-(diethylsulfamoyl)benzamide
PubChem CID90497084
Molecular FormulaC20H26N2O4S2
Molecular Weight422.57 g/mol
Exact Mass422.13
IUPAC NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(O)(c2cccs2)C2CC2)cc1
InChIInChI=1S/C20H26N2O4S2/c1-3-22(4-2)28(25,26)17-11-7-15(8-12-17)19(23)21-14-20(24,16-9-10-16)18-6-5-13-27-18/h5-8,11-13,16,24H,3-4,9-10,14H2,1-2H3,(H,21,23)
InChIKeyRGOQTYFDKRIFBD-UHFFFAOYSA-N
XLogP2.81
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(diethylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 4882047
N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-(dimethylsulfamoyl)benzamide
CID 95379451
N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide
CID 99873672
4-(diethylsulfamoyl)-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111975
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,5-dimethylbenzamide
CID 90496997
4-(diethylsulfamoyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 56724224
N-[(2S)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide
CID 95982762
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55356749
N-[(1S)-1-cyano-1-cyclopropylethyl]-4-(diethylsulfamoyl)benzamide
CID 41104654
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-ethoxyphenoxy)acetamide
CID 90497058
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304134
4-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 41288116

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-(diethylsulfamoyl)benzamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-(diethylsulfamoyl)benzamide (CID 90497084) is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(O)(c2cccs2)C2CC2)cc1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-(diethylsulfamoyl)benzamide?
The InChIKey is RGOQTYFDKRIFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S2/c1-3-22(4-2)28(25,26)17-11-7-15(8-12-17)19(23)21-14-20(24,16-9-10-16)18-6-5-13-27-18/h5-8,11-13,16,24H,3-4,9-10,14H2,1-2H3,(H,21,23).
What are the key properties of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-(diethylsulfamoyl)benzamide?
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-(diethylsulfamoyl)benzamide has a molecular weight of 422.57 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 90497084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).