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

C18H20F2N2O4S — CID 53288405

IUPAC2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)C(C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1
InChIInChI=1S/C18H20F2N2O4S/c1-12(18(23)21-11-13-5-4-6-15(9-13)26-2)22(27(3,24)25)14-7-8-16(19)17(20)10-14/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyQJKZCMAVKFSZAT-UHFFFAOYSA-N
MW398.43 g/mol
LogP2.44
Rot. Bonds7

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

2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(3-methoxyphenyl)methyl]propanamide (PubChem CID 53288405) has the molecular formula C18H20F2N2O4S and a molecular weight of 398.43 g/mol. Its IUPAC name is 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(3-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(3-methoxyphenyl)methyl]propanamide
PubChem CID53288405
Molecular FormulaC18H20F2N2O4S
Molecular Weight398.43 g/mol
Exact Mass398.11
IUPAC Name2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)C(C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1
InChIInChI=1S/C18H20F2N2O4S/c1-12(18(23)21-11-13-5-4-6-15(9-13)26-2)22(27(3,24)25)14-7-8-16(19)17(20)10-14/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyQJKZCMAVKFSZAT-UHFFFAOYSA-N
XLogP2.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 132660625
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218889
(2S)-N-[(3-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 94013320
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 133201978
2-(3-methoxy-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218876
2-(3-fluoro-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 53288409
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53280775
(2R)-N-[[4-(diethylamino)phenyl]methyl]-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 100660301
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 99130827
2-(4-methoxy-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218780
N-[(4-chlorophenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 3715471
N-[3-(3-methoxyphenyl)propyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 132662384

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(3-methoxyphenyl)methyl]propanamide?
The IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(3-methoxyphenyl)methyl]propanamide (CID 53288405) is 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(3-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(3-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(3-methoxyphenyl)methyl]propanamide is COc1cccc(CNC(=O)C(C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(3-methoxyphenyl)methyl]propanamide?
The InChIKey is QJKZCMAVKFSZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O4S/c1-12(18(23)21-11-13-5-4-6-15(9-13)26-2)22(27(3,24)25)14-7-8-16(19)17(20)10-14/h4-10,12H,11H2,1-3H3,(H,21,23).
What are the key properties of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(3-methoxyphenyl)methyl]propanamide?
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(3-methoxyphenyl)methyl]propanamide has a molecular weight of 398.43 g/mol, XLogP of 2.44, 7 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-[(3-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 53288405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).