N-[(2-fluorophenyl)methyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-N-methylbenzamide

C19H23FN2O4S — CID 9372844

IUPACN-[(2-fluorophenyl)methyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-N-methylbenzamide
SMILESCOC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2F)cc1
InChIInChI=1S/C19H23FN2O4S/c1-14(13-26-3)21-27(24,25)17-10-8-15(9-11-17)19(23)22(2)12-16-6-4-5-7-18(16)20/h4-11,14,21H,12-13H2,1-3H3/t14-/m1/s1
InChIKeyAMVHZMVKUXCTRL-CQSZACIVSA-N
MW394.47 g/mol
LogP2.41
Rot. Bonds8

About N-[(2-fluorophenyl)methyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-N-methylbenzamide

N-[(2-fluorophenyl)methyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-N-methylbenzamide (PubChem CID 9372844) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-N-methylbenzamide
PubChem CID9372844
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC NameN-[(2-fluorophenyl)methyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-N-methylbenzamide
SMILESCOC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2F)cc1
InChIInChI=1S/C19H23FN2O4S/c1-14(13-26-3)21-27(24,25)17-10-8-15(9-11-17)19(23)22(2)12-16-6-4-5-7-18(16)20/h4-11,14,21H,12-13H2,1-3H3/t14-/m1/s1
InChIKeyAMVHZMVKUXCTRL-CQSZACIVSA-N
XLogP2.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(2-methylphenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 26558348
4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9301798
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
2,6-difluoro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide
CID 78778266
4-(2-methoxyethylsulfamoyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 55550716
N-[(2-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 26887031
4-carbamothioyl-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 55729757
2,6-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 3854345
2-amino-N-[(2-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
CID 120983321
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
N-[2-(ethylamino)-2-oxoethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9224721
N-(3-chloro-4-fluorophenyl)-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9165962

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-N-methylbenzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-N-methylbenzamide (CID 9372844) is N-[(2-fluorophenyl)methyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-N-methylbenzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-N-methylbenzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-N-methylbenzamide is COC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2F)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-N-methylbenzamide?
The InChIKey is AMVHZMVKUXCTRL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-14(13-26-3)21-27(24,25)17-10-8-15(9-11-17)19(23)22(2)12-16-6-4-5-7-18(16)20/h4-11,14,21H,12-13H2,1-3H3/t14-/m1/s1.
What are the key properties of N-[(2-fluorophenyl)methyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-N-methylbenzamide?
N-[(2-fluorophenyl)methyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-N-methylbenzamide has a molecular weight of 394.47 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 9372844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).