N-[1-(3,4-difluorophenyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide

C18H20F2N2O3S — CID 43003466

IUPACN-[1-(3,4-difluorophenyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NC(C)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C18H20F2N2O3S/c1-4-21-26(24,25)14-7-5-11(2)15(10-14)18(23)22-12(3)13-6-8-16(19)17(20)9-13/h5-10,12,21H,4H2,1-3H3,(H,22,23)
InChIKeyYMJUWTGTJSYVCC-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.06
Rot. Bonds6

About N-[1-(3,4-difluorophenyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide

N-[1-(3,4-difluorophenyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide (PubChem CID 43003466) has the molecular formula C18H20F2N2O3S and a molecular weight of 382.43 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
PubChem CID43003466
Molecular FormulaC18H20F2N2O3S
Molecular Weight382.43 g/mol
Exact Mass382.12
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NC(C)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C18H20F2N2O3S/c1-4-21-26(24,25)14-7-5-11(2)15(10-14)18(23)22-12(3)13-6-8-16(19)17(20)9-13/h5-10,12,21H,4H2,1-3H3,(H,22,23)
InChIKeyYMJUWTGTJSYVCC-UHFFFAOYSA-N
XLogP3.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 43010637
5-(ethylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 27648413
5-[1-(3,4-difluorophenyl)ethylsulfamoyl]-2-methylbenzamide
CID 46406560
5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-difluorophenyl)ethyl]propanamide
CID 25493668
N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412
N-(1-amino-4-methylpentan-2-yl)-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119585798
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide
CID 26012630
5-(ethylsulfamoyl)-2-methyl-N-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 51658233
4-(2-cyanoethylsulfamoyl)-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 78804741
N-(5-chloro-2-methylphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 43007142
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 55652582

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide (CID 43003466) is N-[1-(3,4-difluorophenyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)NC(C)c2ccc(F)c(F)c2)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
The InChIKey is YMJUWTGTJSYVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3S/c1-4-21-26(24,25)14-7-5-11(2)15(10-14)18(23)22-12(3)13-6-8-16(19)17(20)9-13/h5-10,12,21H,4H2,1-3H3,(H,22,23).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide?
N-[1-(3,4-difluorophenyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide has a molecular weight of 382.43 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 43003466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).