N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[methoxy(methyl)sulfamoyl]benzamide

C20H23FN2O4S — CID 96529997

IUPACN-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2c3cccc(F)c3CC[C@@H]2C)c1
InChIInChI=1S/C20H23FN2O4S/c1-13-10-11-16-17(8-5-9-18(16)21)19(13)22-20(24)14-6-4-7-15(12-14)28(25,26)23(2)27-3/h4-9,12-13,19H,10-11H2,1-3H3,(H,22,24)/t13-,19+/m0/s1
InChIKeyXDBYJKYWILJGEV-ORAYPTAESA-N
MW406.48 g/mol
LogP3.06
Rot. Bonds5

About N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[methoxy(methyl)sulfamoyl]benzamide

N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[methoxy(methyl)sulfamoyl]benzamide (PubChem CID 96529997) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[methoxy(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[methoxy(methyl)sulfamoyl]benzamide
PubChem CID96529997
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC NameN-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2c3cccc(F)c3CC[C@@H]2C)c1
InChIInChI=1S/C20H23FN2O4S/c1-13-10-11-16-17(8-5-9-18(16)21)19(13)22-20(24)14-6-4-7-15(12-14)28(25,26)23(2)27-3/h4-9,12-13,19H,10-11H2,1-3H3,(H,22,24)/t13-,19+/m0/s1
InChIKeyXDBYJKYWILJGEV-ORAYPTAESA-N
XLogP3.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[methoxy(methyl)sulfamoyl]-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 9273168
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CID 9193334
3-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methyl-1-(2-methylsulfonylethyl)urea
CID 96562980
N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(methylsulfamoyl)acetamide
CID 96967900
3-ethylsulfonyl-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide
CID 97248736
3-[methoxy(methyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
CID 18197948
5-amino-N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylbenzamide
CID 120634471
(2S)-N-[(1R,2R)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methyl-3-methylsulfonylpropanamide
CID 129422325
N-(2,6-diethylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18197987
N-[cyclopropyl(phenyl)methyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18131655
3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 51250979
tert-butyl N-[2-fluoro-5-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[methoxy(methyl)sulfamoyl]benzamide?
The IUPAC name of N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[methoxy(methyl)sulfamoyl]benzamide (CID 96529997) is N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[methoxy(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[methoxy(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[methoxy(methyl)sulfamoyl]benzamide is CON(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2c3cccc(F)c3CC[C@@H]2C)c1.
What is the InChIKey of N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[methoxy(methyl)sulfamoyl]benzamide?
The InChIKey is XDBYJKYWILJGEV-ORAYPTAESA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-13-10-11-16-17(8-5-9-18(16)21)19(13)22-20(24)14-6-4-7-15(12-14)28(25,26)23(2)27-3/h4-9,12-13,19H,10-11H2,1-3H3,(H,22,24)/t13-,19+/m0/s1.
What are the key properties of N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[methoxy(methyl)sulfamoyl]benzamide?
N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[methoxy(methyl)sulfamoyl]benzamide has a molecular weight of 406.48 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[methoxy(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 96529997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).