5-[(2S)-3-amino-2-methyl-3-oxopropyl]sulfonyl-N-(4-fluorophenyl)-2-methoxybenzamide

C18H19FN2O5S — CID 157454354

IUPAC5-[(2S)-3-amino-2-methyl-3-oxopropyl]sulfonyl-N-(4-fluorophenyl)-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)C[C@@H](C)C(N)=O)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O5S/c1-11(17(20)22)10-27(24,25)14-7-8-16(26-2)15(9-14)18(23)21-13-5-3-12(19)4-6-13/h3-9,11H,10H2,1-2H3,(H2,20,22)(H,21,23)/t11-/m1/s1
InChIKeyNDEDAWWTYZSSOU-LLVKDONJSA-N
MW394.42 g/mol
LogP1.98
Rot. Bonds7

About 5-[(2S)-3-amino-2-methyl-3-oxopropyl]sulfonyl-N-(4-fluorophenyl)-2-methoxybenzamide

5-[(2S)-3-amino-2-methyl-3-oxopropyl]sulfonyl-N-(4-fluorophenyl)-2-methoxybenzamide (PubChem CID 157454354) has the molecular formula C18H19FN2O5S and a molecular weight of 394.42 g/mol. Its IUPAC name is 5-[(2S)-3-amino-2-methyl-3-oxopropyl]sulfonyl-N-(4-fluorophenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-[(2S)-3-amino-2-methyl-3-oxopropyl]sulfonyl-N-(4-fluorophenyl)-2-methoxybenzamide
PubChem CID157454354
Molecular FormulaC18H19FN2O5S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC Name5-[(2S)-3-amino-2-methyl-3-oxopropyl]sulfonyl-N-(4-fluorophenyl)-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)C[C@@H](C)C(N)=O)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O5S/c1-11(17(20)22)10-27(24,25)14-7-8-16(26-2)15(9-14)18(23)21-13-5-3-12(19)4-6-13/h3-9,11H,10H2,1-2H3,(H2,20,22)(H,21,23)/t11-/m1/s1
InChIKeyNDEDAWWTYZSSOU-LLVKDONJSA-N
XLogP1.98
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylsulfamoyl)-N-(4-fluorophenyl)-2-methoxybenzamide
CID 19257861
5-fluoro-2-methoxy-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 31120180
5-fluoro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33037269
N-(4-acetamidophenyl)-5-fluoro-2-methoxybenzamide
CID 31063829
3-[4-[(2-methoxy-5-methylsulfonylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 120690055
N-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7964867
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43882654
N-(4-fluorophenyl)-5-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]-2-methoxybenzamide
CID 146255968
N-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7779984
N-[4-(azepan-1-ylsulfonyl)phenyl]-5-fluoro-2-methoxybenzamide
CID 31118008
(2S)-3-[3-[(2-chlorophenyl)carbamoyl]-4-methoxyphenyl]sulfonyl-2-methylpropanoic acid;sulfane
CID 158916242
5-(diethylsulfamoyl)-N-(3-fluoro-4-methoxyphenyl)-2-methoxybenzamide
CID 55796499

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-3-amino-2-methyl-3-oxopropyl]sulfonyl-N-(4-fluorophenyl)-2-methoxybenzamide?
The IUPAC name of 5-[(2S)-3-amino-2-methyl-3-oxopropyl]sulfonyl-N-(4-fluorophenyl)-2-methoxybenzamide (CID 157454354) is 5-[(2S)-3-amino-2-methyl-3-oxopropyl]sulfonyl-N-(4-fluorophenyl)-2-methoxybenzamide.
What is the SMILES notation for 5-[(2S)-3-amino-2-methyl-3-oxopropyl]sulfonyl-N-(4-fluorophenyl)-2-methoxybenzamide?
The canonical SMILES for 5-[(2S)-3-amino-2-methyl-3-oxopropyl]sulfonyl-N-(4-fluorophenyl)-2-methoxybenzamide is COc1ccc(S(=O)(=O)C[C@@H](C)C(N)=O)cc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 5-[(2S)-3-amino-2-methyl-3-oxopropyl]sulfonyl-N-(4-fluorophenyl)-2-methoxybenzamide?
The InChIKey is NDEDAWWTYZSSOU-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19FN2O5S/c1-11(17(20)22)10-27(24,25)14-7-8-16(26-2)15(9-14)18(23)21-13-5-3-12(19)4-6-13/h3-9,11H,10H2,1-2H3,(H2,20,22)(H,21,23)/t11-/m1/s1.
What are the key properties of 5-[(2S)-3-amino-2-methyl-3-oxopropyl]sulfonyl-N-(4-fluorophenyl)-2-methoxybenzamide?
5-[(2S)-3-amino-2-methyl-3-oxopropyl]sulfonyl-N-(4-fluorophenyl)-2-methoxybenzamide has a molecular weight of 394.42 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-3-amino-2-methyl-3-oxopropyl]sulfonyl-N-(4-fluorophenyl)-2-methoxybenzamide is sourced from PubChem (CID 157454354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).