N-benzyl-2-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylacetamide

C18H20F2N2O3S — CID 113157686

IUPACN-benzyl-2-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C18H20F2N2O3S/c1-3-21(12-14-7-5-4-6-8-14)18(23)13-22(26(2,24)25)15-9-10-16(19)17(20)11-15/h4-11H,3,12-13H2,1-2H3
InChIKeyRRAZCXFKQLULDG-UHFFFAOYSA-N
MW382.43 g/mol
LogP2.78
Rot. Bonds7

About N-benzyl-2-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylacetamide

N-benzyl-2-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylacetamide (PubChem CID 113157686) has the molecular formula C18H20F2N2O3S and a molecular weight of 382.43 g/mol. Its IUPAC name is N-benzyl-2-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylacetamide
PubChem CID113157686
Molecular FormulaC18H20F2N2O3S
Molecular Weight382.43 g/mol
Exact Mass382.12
IUPAC NameN-benzyl-2-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C18H20F2N2O3S/c1-3-21(12-14-7-5-4-6-8-14)18(23)13-22(26(2,24)25)15-9-10-16(19)17(20)11-15/h4-11H,3,12-13H2,1-2H3
InChIKeyRRAZCXFKQLULDG-UHFFFAOYSA-N
XLogP2.78
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylpropanamide
CID 113147230
N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 43020569
N-benzyl-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-ethylacetamide
CID 113153950
(2S)-2-[benzyl-[2-(3,4-difluoro-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylpropanamide
CID 100644177
2-[benzyl-[2-(3,4-difluoro-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylbutanamide
CID 132677269
2-[benzyl-[2-(3,4-difluoro-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132946183
(2S)-2-[benzyl-[2-(3,4-difluoro-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylbutanamide
CID 100731475
(2S)-2-[benzyl-[2-(3,4-difluoro-N-methylsulfonylanilino)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 100661600
(2R)-2-[benzyl-[2-(3,4-difluoro-N-methylsulfonylanilino)acetyl]amino]-N-[(2R)-butan-2-yl]butanamide
CID 100647818
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(3,4-difluorophenyl)methanesulfonamide
CID 6500027
N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethylacetamide
CID 113151099
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(3,4-difluoro-N-methylsulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-3-phenylpropanamide
CID 125103716

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylacetamide?
The IUPAC name of N-benzyl-2-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylacetamide (CID 113157686) is N-benzyl-2-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O.
What is the InChIKey of N-benzyl-2-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylacetamide?
The InChIKey is RRAZCXFKQLULDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3S/c1-3-21(12-14-7-5-4-6-8-14)18(23)13-22(26(2,24)25)15-9-10-16(19)17(20)11-15/h4-11H,3,12-13H2,1-2H3.
What are the key properties of N-benzyl-2-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylacetamide?
N-benzyl-2-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylacetamide has a molecular weight of 382.43 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylacetamide is sourced from PubChem (CID 113157686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).