2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide

C17H18F2N2O4S — CID 53285804

IUPAC2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)N(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C17H18F2N2O4S/c1-11(17(22)20-15-6-4-5-7-16(15)25-2)21(26(3,23)24)12-8-9-13(18)14(19)10-12/h4-11H,1-3H3,(H,20,22)
InChIKeyIDHJBSJYXFTLTG-UHFFFAOYSA-N
MW384.40 g/mol
LogP2.77
Rot. Bonds6

About 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide

2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide (PubChem CID 53285804) has the molecular formula C17H18F2N2O4S and a molecular weight of 384.40 g/mol. Its IUPAC name is 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide
PubChem CID53285804
Molecular FormulaC17H18F2N2O4S
Molecular Weight384.40 g/mol
Exact Mass384.10
IUPAC Name2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)N(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C17H18F2N2O4S/c1-11(17(22)20-15-6-4-5-7-16(15)25-2)21(26(3,23)24)12-8-9-13(18)14(19)10-12/h4-11H,1-3H3,(H,20,22)
InChIKeyIDHJBSJYXFTLTG-UHFFFAOYSA-N
XLogP2.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide
CID 99132009
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethoxyphenyl)propanamide
CID 99131992
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 99131983
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 132668718
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylpropanamide
CID 99131874
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 133160260
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 100528966
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)propanamide
CID 40965051
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 99131961
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
CID 99131905
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 1311949
(2R)-N-(2-ethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1203934

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide (CID 53285804) is 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)C(C)N(c1ccc(F)c(F)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide?
The InChIKey is IDHJBSJYXFTLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O4S/c1-11(17(22)20-15-6-4-5-7-16(15)25-2)21(26(3,23)24)12-8-9-13(18)14(19)10-12/h4-11H,1-3H3,(H,20,22).
What are the key properties of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide?
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide has a molecular weight of 384.40 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 53285804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).