ethyl 2-fluoro-3-(methanesulfonamido)-5-[methyl(propyl)carbamoyl]benzoate

C15H21FN2O5S — CID 68814460

IUPACethyl 2-fluoro-3-(methanesulfonamido)-5-[methyl(propyl)carbamoyl]benzoate
SMILESCCCN(C)C(=O)c1cc(NS(C)(=O)=O)c(F)c(C(=O)OCC)c1
InChIInChI=1S/C15H21FN2O5S/c1-5-7-18(3)14(19)10-8-11(15(20)23-6-2)13(16)12(9-10)17-24(4,21)22/h8-9,17H,5-7H2,1-4H3
InChIKeyAOERWKGOJIHYIN-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.86
Rot. Bonds7

About ethyl 2-fluoro-3-(methanesulfonamido)-5-[methyl(propyl)carbamoyl]benzoate

ethyl 2-fluoro-3-(methanesulfonamido)-5-[methyl(propyl)carbamoyl]benzoate (PubChem CID 68814460) has the molecular formula C15H21FN2O5S and a molecular weight of 360.41 g/mol. Its IUPAC name is ethyl 2-fluoro-3-(methanesulfonamido)-5-[methyl(propyl)carbamoyl]benzoate.

Molecular Properties

Compound Nameethyl 2-fluoro-3-(methanesulfonamido)-5-[methyl(propyl)carbamoyl]benzoate
PubChem CID68814460
Molecular FormulaC15H21FN2O5S
Molecular Weight360.41 g/mol
Exact Mass360.12
IUPAC Nameethyl 2-fluoro-3-(methanesulfonamido)-5-[methyl(propyl)carbamoyl]benzoate
SMILESCCCN(C)C(=O)c1cc(NS(C)(=O)=O)c(F)c(C(=O)OCC)c1
InChIInChI=1S/C15H21FN2O5S/c1-5-7-18(3)14(19)10-8-11(15(20)23-6-2)13(16)12(9-10)17-24(4,21)22/h8-9,17H,5-7H2,1-4H3
InChIKeyAOERWKGOJIHYIN-UHFFFAOYSA-N
XLogP1.86
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(2,2-difluoroethenyl)-5-[methyl(propyl)carbamoyl]benzoate
CID 68814519
ethyl 5-(methanesulfonamido)-2-methylbenzoate
CID 59066715
ethyl 4-hydroxy-3-(methanesulfonamido)benzoate
CID 18982707
ethyl 3-(methoxymethyl)-5-[methyl(propyl)carbamoyl]benzoate
CID 68814471
3-(methanesulfonamido)-4-methyl-N,N-dipropylbenzamide
CID 134062114
N-(3-amino-4-methylpentyl)-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 119659045
ethyl 2,3-difluoro-5-methylbenzoate
CID 122129684
3-amino-N-methyl-5-methylsulfonyl-N-propylbenzamide
CID 55009971
diethyl 5-(butan-2-ylcarbamoyl)benzene-1,3-dicarboxylate;3-ethoxycarbonyl-5-[methyl(propyl)carbamoyl]benzoic acid
CID 69345286
3-(methanesulfonamido)-N-[2-(4-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide
CID 55571429
3-chloro-N,4-dimethyl-N-propyl-5-sulfamoylbenzamide
CID 65387181
5-fluoro-N-methyl-N-propyl-2-sulfamoylbenzamide
CID 60876962

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-3-(methanesulfonamido)-5-[methyl(propyl)carbamoyl]benzoate?
The IUPAC name of ethyl 2-fluoro-3-(methanesulfonamido)-5-[methyl(propyl)carbamoyl]benzoate (CID 68814460) is ethyl 2-fluoro-3-(methanesulfonamido)-5-[methyl(propyl)carbamoyl]benzoate.
What is the SMILES notation for ethyl 2-fluoro-3-(methanesulfonamido)-5-[methyl(propyl)carbamoyl]benzoate?
The canonical SMILES for ethyl 2-fluoro-3-(methanesulfonamido)-5-[methyl(propyl)carbamoyl]benzoate is CCCN(C)C(=O)c1cc(NS(C)(=O)=O)c(F)c(C(=O)OCC)c1.
What is the InChIKey of ethyl 2-fluoro-3-(methanesulfonamido)-5-[methyl(propyl)carbamoyl]benzoate?
The InChIKey is AOERWKGOJIHYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O5S/c1-5-7-18(3)14(19)10-8-11(15(20)23-6-2)13(16)12(9-10)17-24(4,21)22/h8-9,17H,5-7H2,1-4H3.
What are the key properties of ethyl 2-fluoro-3-(methanesulfonamido)-5-[methyl(propyl)carbamoyl]benzoate?
ethyl 2-fluoro-3-(methanesulfonamido)-5-[methyl(propyl)carbamoyl]benzoate has a molecular weight of 360.41 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-3-(methanesulfonamido)-5-[methyl(propyl)carbamoyl]benzoate is sourced from PubChem (CID 68814460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).