N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]benzamide

C22H27FN2O4S — CID 31425302

IUPACN-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(Cc2ccc(OC)cc2)C2CC2)c1
InChIInChI=1S/C22H27FN2O4S/c1-4-24(5-2)30(27,28)19-12-13-21(23)20(14-19)22(26)25(17-8-9-17)15-16-6-10-18(29-3)11-7-16/h6-7,10-14,17H,4-5,8-9,15H2,1-3H3
InChIKeyBXUDOWOWKUXQMZ-UHFFFAOYSA-N
MW434.53 g/mol
LogP3.67
Rot. Bonds9

About N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]benzamide

N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 31425302) has the molecular formula C22H27FN2O4S and a molecular weight of 434.53 g/mol. Its IUPAC name is N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID31425302
Molecular FormulaC22H27FN2O4S
Molecular Weight434.53 g/mol
Exact Mass434.17
IUPAC NameN-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(Cc2ccc(OC)cc2)C2CC2)c1
InChIInChI=1S/C22H27FN2O4S/c1-4-24(5-2)30(27,28)19-12-13-21(23)20(14-19)22(26)25(17-8-9-17)15-16-6-10-18(29-3)11-7-16/h6-7,10-14,17H,4-5,8-9,15H2,1-3H3
InChIKeyBXUDOWOWKUXQMZ-UHFFFAOYSA-N
XLogP3.67
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)methyl 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 16578035
N-cyclopropyl-5-(diethylsulfamoyl)-N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzamide
CID 32588710
5-(diethylsulfamoyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 34976198
N-cyclopropyl-4-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 9298439
N-(cyclopropylmethyl)-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 34825943
[4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]phenyl] ethanesulfonate
CID 46110939
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31908536
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-nitrobenzamide
CID 9298244
5-(ethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 55913537
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 78811592
N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 55592330
2-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 34441922

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]benzamide (CID 31425302) is N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(Cc2ccc(OC)cc2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is BXUDOWOWKUXQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O4S/c1-4-24(5-2)30(27,28)19-12-13-21(23)20(14-19)22(26)25(17-8-9-17)15-16-6-10-18(29-3)11-7-16/h6-7,10-14,17H,4-5,8-9,15H2,1-3H3.
What are the key properties of N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]benzamide?
N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 434.53 g/mol, XLogP of 3.67, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(diethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 31425302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).