N-[2-(1-benzothiophen-3-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide

C20H22N2O3S2 — CID 87020519

IUPACN-[2-(1-benzothiophen-3-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCc2csc3ccccc23)c1
InChIInChI=1S/C20H22N2O3S2/c1-3-22-27(24,25)16-9-8-14(2)18(12-16)20(23)21-11-10-15-13-26-19-7-5-4-6-17(15)19/h4-9,12-13,22H,3,10-11H2,1-2H3,(H,21,23)
InChIKeyUHLHPIIGSQWEPT-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.48
Rot. Bonds7

About N-[2-(1-benzothiophen-3-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide

N-[2-(1-benzothiophen-3-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide (PubChem CID 87020519) has the molecular formula C20H22N2O3S2 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
PubChem CID87020519
Molecular FormulaC20H22N2O3S2
Molecular Weight402.54 g/mol
Exact Mass402.11
IUPAC NameN-[2-(1-benzothiophen-3-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCc2csc3ccccc23)c1
InChIInChI=1S/C20H22N2O3S2/c1-3-22-27(24,25)16-9-8-14(2)18(12-16)20(23)21-11-10-15-13-26-19-7-5-4-6-17(15)19/h4-9,12-13,22H,3,10-11H2,1-2H3,(H,21,23)
InChIKeyUHLHPIIGSQWEPT-UHFFFAOYSA-N
XLogP3.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412
N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 55659290
N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35710044
5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500419
N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane
CID 161370454
N-(2-amino-2-ethylbutyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119640149
5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
N-[2-(1H-indol-3-yl)ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 27645841
N-[2-(1-benzothiophen-3-yl)ethyl]-2,3,4,5-tetrafluorobenzamide
CID 112837021
N-[2-(1-benzothiophen-3-yl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 87005686
N-[2-(1-adamantyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 46448735
5-(ethylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 27648413

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide (CID 87020519) is N-[2-(1-benzothiophen-3-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)NCCc2csc3ccccc23)c1.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The InChIKey is UHLHPIIGSQWEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S2/c1-3-22-27(24,25)16-9-8-14(2)18(12-16)20(23)21-11-10-15-13-26-19-7-5-4-6-17(15)19/h4-9,12-13,22H,3,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(1-benzothiophen-3-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
N-[2-(1-benzothiophen-3-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide has a molecular weight of 402.54 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 87020519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).