N-benzyl-3-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylpropanamide

C19H22F2N2O3S — CID 113147230

IUPACN-benzyl-3-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCN(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C19H22F2N2O3S/c1-3-22(14-15-7-5-4-6-8-15)19(24)11-12-23(27(2,25)26)16-9-10-17(20)18(21)13-16/h4-10,13H,3,11-12,14H2,1-2H3
InChIKeyMKFRJTLSFHTXAW-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.17
Rot. Bonds8

About N-benzyl-3-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylpropanamide

N-benzyl-3-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylpropanamide (PubChem CID 113147230) has the molecular formula C19H22F2N2O3S and a molecular weight of 396.46 g/mol. Its IUPAC name is N-benzyl-3-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylpropanamide
PubChem CID113147230
Molecular FormulaC19H22F2N2O3S
Molecular Weight396.46 g/mol
Exact Mass396.13
IUPAC NameN-benzyl-3-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCN(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C19H22F2N2O3S/c1-3-22(14-15-7-5-4-6-8-15)19(24)11-12-23(27(2,25)26)16-9-10-17(20)18(21)13-16/h4-10,13H,3,11-12,14H2,1-2H3
InChIKeyMKFRJTLSFHTXAW-UHFFFAOYSA-N
XLogP3.17
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylacetamide
CID 113157686
N-benzyl-3-(3-cyano-N-methylsulfonylanilino)-N-ethylpropanamide
CID 113146850
N-benzyl-3-(2,3-dimethyl-N-methylsulfonylanilino)-N-ethylpropanamide
CID 113142592
N-benzyl-2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 43020569
3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide
CID 113138656
(2S)-2-[benzyl-[2-(3,4-difluoro-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylpropanamide
CID 100644177
N-benzyl-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-(3,4-difluoro-N-methylsulfonylanilino)butanamide
CID 132728239
4-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-N-[(4-fluorophenyl)methyl]butanamide
CID 132631040
N-benzyl-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-ethylacetamide
CID 113153950
4-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylbutanamide
CID 53287713
N-benzyl-4-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 133212212
3-(N-methylsulfonylanilino)-N,N-dipropylpropanamide
CID 113141498

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylpropanamide?
The IUPAC name of N-benzyl-3-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylpropanamide (CID 113147230) is N-benzyl-3-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylpropanamide.
What is the SMILES notation for N-benzyl-3-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylpropanamide?
The canonical SMILES for N-benzyl-3-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylpropanamide is CCN(Cc1ccccc1)C(=O)CCN(c1ccc(F)c(F)c1)S(C)(=O)=O.
What is the InChIKey of N-benzyl-3-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylpropanamide?
The InChIKey is MKFRJTLSFHTXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3S/c1-3-22(14-15-7-5-4-6-8-15)19(24)11-12-23(27(2,25)26)16-9-10-17(20)18(21)13-16/h4-10,13H,3,11-12,14H2,1-2H3.
What are the key properties of N-benzyl-3-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylpropanamide?
N-benzyl-3-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylpropanamide has a molecular weight of 396.46 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3,4-difluoro-N-methylsulfonylanilino)-N-ethylpropanamide is sourced from PubChem (CID 113147230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).