5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide

C19H23FN2O4S — CID 92680004

IUPAC5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)cc1C(=O)NC(C)C
InChIInChI=1S/C19H23FN2O4S/c1-12(2)21-19(23)17-11-16(9-10-18(17)26-4)27(24,25)22-13(3)14-5-7-15(20)8-6-14/h5-13,22H,1-4H3,(H,21,23)/t13-/m1/s1
InChIKeyZTBGGUNYYVKXSG-CYBMUJFWSA-N
MW394.47 g/mol
LogP3.01
Rot. Bonds7

About 5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide

5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide (PubChem CID 92680004) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is 5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide
PubChem CID92680004
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC Name5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)cc1C(=O)NC(C)C
InChIInChI=1S/C19H23FN2O4S/c1-12(2)21-19(23)17-11-16(9-10-18(17)26-4)27(24,25)22-13(3)14-5-7-15(20)8-6-14/h5-13,22H,1-4H3,(H,21,23)/t13-/m1/s1
InChIKeyZTBGGUNYYVKXSG-CYBMUJFWSA-N
XLogP3.01
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-[[(1R)-1-(4-methylphenyl)ethyl]sulfamoyl]-N-propan-2-ylbenzamide
CID 28572520
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 28958747
2-methoxy-N-propan-2-yl-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]benzamide
CID 133220057
N-[4-[1-(4-fluorophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide
CID 4877871
N-ethyl-2-methoxy-5-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]benzamide
CID 94019786
2-methoxy-5-[1-(4-methoxy-3-methylphenyl)propylsulfamoyl]-N-propan-2-ylbenzamide
CID 133158390
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 30404026
4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 92677584
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 94012776
3-(azepane-1-carbonyl)-4-methoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 46771236
2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55607195
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 46778206

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide?
The IUPAC name of 5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide (CID 92680004) is 5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide?
The canonical SMILES for 5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide is COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)cc1C(=O)NC(C)C.
What is the InChIKey of 5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide?
The InChIKey is ZTBGGUNYYVKXSG-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-12(2)21-19(23)17-11-16(9-10-18(17)26-4)27(24,25)22-13(3)14-5-7-15(20)8-6-14/h5-13,22H,1-4H3,(H,21,23)/t13-/m1/s1.
What are the key properties of 5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide?
5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide has a molecular weight of 394.47 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 92680004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).