2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide

C17H19FN2O4S2 — CID 43890648

IUPAC2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NC(C)C(=O)Nc1cccc(SC)c1
InChIInChI=1S/C17H19FN2O4S2/c1-11(17(21)19-13-5-4-6-14(10-13)25-3)20-26(22,23)16-9-12(18)7-8-15(16)24-2/h4-11,20H,1-3H3,(H,19,21)
InChIKeyFLFQRYGMEVJMGN-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.86
Rot. Bonds7

About 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide

2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide (PubChem CID 43890648) has the molecular formula C17H19FN2O4S2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
PubChem CID43890648
Molecular FormulaC17H19FN2O4S2
Molecular Weight398.48 g/mol
Exact Mass398.08
IUPAC Name2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NC(C)C(=O)Nc1cccc(SC)c1
InChIInChI=1S/C17H19FN2O4S2/c1-11(17(21)19-13-5-4-6-14(10-13)25-3)20-26(22,23)16-9-12(18)7-8-15(16)24-2/h4-11,20H,1-3H3,(H,19,21)
InChIKeyFLFQRYGMEVJMGN-UHFFFAOYSA-N
XLogP2.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 126394180
N-(2,6-difluorophenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
CID 43890625
N-(2,6-dichlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
CID 43890621
N-(3-chloro-4-methylphenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
CID 43890617
4-methoxy-N-(3-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 45373523
(2S)-2-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide
CID 1254729
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
CID 43890558
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 24536242
N-(2,4-difluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]propanamide
CID 43890502
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide
CID 28549552
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide
CID 43890659
2-(carbamoylamino)-N-(3-methylsulfanylphenyl)propanamide
CID 74646045

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide?
The IUPAC name of 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide (CID 43890648) is 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide?
The canonical SMILES for 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide is COc1ccc(F)cc1S(=O)(=O)NC(C)C(=O)Nc1cccc(SC)c1.
What is the InChIKey of 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide?
The InChIKey is FLFQRYGMEVJMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S2/c1-11(17(21)19-13-5-4-6-14(10-13)25-3)20-26(22,23)16-9-12(18)7-8-15(16)24-2/h4-11,20H,1-3H3,(H,19,21).
What are the key properties of 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide?
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide has a molecular weight of 398.48 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 43890648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).