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

C17H18F2N2O3S — CID 86925802

IUPACN-[1-(2,5-difluorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C17H18F2N2O3S/c1-11(15-10-13(18)7-8-16(15)19)21(2)17(22)12-5-4-6-14(9-12)20-25(3,23)24/h4-11,20H,1-3H3
InChIKeyRRGIOFVFQVJLJT-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.17
Rot. Bonds5

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

N-[1-(2,5-difluorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide (PubChem CID 86925802) has the molecular formula C17H18F2N2O3S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
PubChem CID86925802
Molecular FormulaC17H18F2N2O3S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C17H18F2N2O3S/c1-11(15-10-13(18)7-8-16(15)19)21(2)17(22)12-5-4-6-14(9-12)20-25(3,23)24/h4-11,20H,1-3H3
InChIKeyRRGIOFVFQVJLJT-UHFFFAOYSA-N
XLogP3.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 86980736
N-[1-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 46587835
N-(1-cyclopropylethyl)-3-(methanesulfonamido)-N-methylbenzamide
CID 42951669
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 46591499
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 86925789
[1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 3-(methanesulfonamido)benzoate
CID 16567077
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-methoxy-N-methyl-3-phenylbenzamide
CID 95068212
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503
N-cyclohexyl-3-(methanesulfonamido)-N-methylbenzamide
CID 51274732
3-[1-(2,5-difluorophenyl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049111
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide
CID 62637683
N-[1-(2,5-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62726518

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide (CID 86925802) is N-[1-(2,5-difluorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide is CC(c1cc(F)ccc1F)N(C)C(=O)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide?
The InChIKey is RRGIOFVFQVJLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3S/c1-11(15-10-13(18)7-8-16(15)19)21(2)17(22)12-5-4-6-14(9-12)20-25(3,23)24/h4-11,20H,1-3H3.
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide?
N-[1-(2,5-difluorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide has a molecular weight of 368.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-3-(methanesulfonamido)-N-methylbenzamide is sourced from PubChem (CID 86925802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).