2-(3-fluoro-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide

C20H25FN2O4S — CID 53288409

IUPAC2-(3-fluoro-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
SMILESCC(C)Oc1cccc(CNC(=O)C(C)N(c2cccc(F)c2)S(C)(=O)=O)c1
InChIInChI=1S/C20H25FN2O4S/c1-14(2)27-19-10-5-7-16(11-19)13-22-20(24)15(3)23(28(4,25)26)18-9-6-8-17(21)12-18/h5-12,14-15H,13H2,1-4H3,(H,22,24)
InChIKeyQHGXPPYTLXHMFE-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.08
Rot. Bonds8

About 2-(3-fluoro-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide

2-(3-fluoro-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide (PubChem CID 53288409) has the molecular formula C20H25FN2O4S and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-(3-fluoro-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(3-fluoro-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
PubChem CID53288409
Molecular FormulaC20H25FN2O4S
Molecular Weight408.50 g/mol
Exact Mass408.15
IUPAC Name2-(3-fluoro-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
SMILESCC(C)Oc1cccc(CNC(=O)C(C)N(c2cccc(F)c2)S(C)(=O)=O)c1
InChIInChI=1S/C20H25FN2O4S/c1-14(2)27-19-10-5-7-16(11-19)13-22-20(24)15(3)23(28(4,25)26)18-9-6-8-17(21)12-18/h5-12,14-15H,13H2,1-4H3,(H,22,24)
InChIKeyQHGXPPYTLXHMFE-UHFFFAOYSA-N
XLogP3.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(3-methoxyphenyl)methyl]propanamide
CID 53288405
2-(3-fluoro-N-methylsulfonylanilino)-N-(naphthalen-1-ylmethyl)propanamide
CID 133187984
2-(3-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 53288479
(2R)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 99132766
2-(N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 46772863
2-(N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53282926
N-[(2,5-diethylphenyl)methyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 133265286
N-[(2-ethoxyphenyl)methyl]-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 53288205
2-(3-methoxy-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218876
2-(4-ethyl-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 132665744
(2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide
CID 700385
(2S)-N-[(3-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 94013320

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide?
The IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide (CID 53288409) is 2-(3-fluoro-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-(3-fluoro-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide?
The canonical SMILES for 2-(3-fluoro-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide is CC(C)Oc1cccc(CNC(=O)C(C)N(c2cccc(F)c2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-fluoro-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide?
The InChIKey is QHGXPPYTLXHMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4S/c1-14(2)27-19-10-5-7-16(11-19)13-22-20(24)15(3)23(28(4,25)26)18-9-6-8-17(21)12-18/h5-12,14-15H,13H2,1-4H3,(H,22,24).
What are the key properties of 2-(3-fluoro-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide?
2-(3-fluoro-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide has a molecular weight of 408.50 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide is sourced from PubChem (CID 53288409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).