N-[5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide

C19H21FN2O4S — CID 26531285

IUPACN-[5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CC2)cc1NC(C)=O
InChIInChI=1S/C19H21FN2O4S/c1-13(23)21-18-11-17(9-10-19(18)26-2)27(24,25)22(16-7-8-16)12-14-3-5-15(20)6-4-14/h3-6,9-11,16H,7-8,12H2,1-2H3,(H,21,23)
InChIKeyAIPDHYLYGGJZRJ-UHFFFAOYSA-N
MW392.45 g/mol
LogP3.15
Rot. Bonds7

About N-[5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide

N-[5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide (PubChem CID 26531285) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is N-[5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide
PubChem CID26531285
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC NameN-[5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CC2)cc1NC(C)=O
InChIInChI=1S/C19H21FN2O4S/c1-13(23)21-18-11-17(9-10-19(18)26-2)27(24,25)22(16-7-8-16)12-14-3-5-15(20)6-4-14/h3-6,9-11,16H,7-8,12H2,1-2H3,(H,21,23)
InChIKeyAIPDHYLYGGJZRJ-UHFFFAOYSA-N
XLogP3.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(4-fluorophenyl)methyl-methylsulfamoyl]-2-methoxyphenyl]acetamide
CID 8797927
N-[4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]phenyl]acetamide
CID 9356254
2-[(3-acetamido-4-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 8797485
N-[5-[[(3R)-1,1-dioxothiolan-3-yl]-propylsulfamoyl]-2-methoxyphenyl]acetamide
CID 8797616
1-acetyl-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 26531299
N-benzyl-3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide
CID 24663505
N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide
CID 46300366
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide
CID 7750677
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 4255094
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 4792679
2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid
CID 60829007
N-[5-[benzyl(hexadecyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 3629462

Frequently Asked Questions

What is the IUPAC name of N-[5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide (CID 26531285) is N-[5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide is COc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CC2)cc1NC(C)=O.
What is the InChIKey of N-[5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide?
The InChIKey is AIPDHYLYGGJZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-13(23)21-18-11-17(9-10-19(18)26-2)27(24,25)22(16-7-8-16)12-14-3-5-15(20)6-4-14/h3-6,9-11,16H,7-8,12H2,1-2H3,(H,21,23).
What are the key properties of N-[5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide?
N-[5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide has a molecular weight of 392.45 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 26531285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).