N-(cyclopropylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-propylbenzamide

C21H25FN2O3S — CID 112812922

IUPACN-(cyclopropylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C21H25FN2O3S/c1-3-12-24(14-16-8-9-16)21(25)18-6-4-5-7-20(18)23-28(26,27)17-10-11-19(22)15(2)13-17/h4-7,10-11,13,16,23H,3,8-9,12,14H2,1-2H3
InChIKeyVZGNABQTQKLFMV-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.20
Rot. Bonds8

About N-(cyclopropylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-propylbenzamide

N-(cyclopropylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-propylbenzamide (PubChem CID 112812922) has the molecular formula C21H25FN2O3S and a molecular weight of 404.51 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-propylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-propylbenzamide
PubChem CID112812922
Molecular FormulaC21H25FN2O3S
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC NameN-(cyclopropylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C21H25FN2O3S/c1-3-12-24(14-16-8-9-16)21(25)18-6-4-5-7-20(18)23-28(26,27)17-10-11-19(22)15(2)13-17/h4-7,10-11,13,16,23H,3,8-9,12,14H2,1-2H3
InChIKeyVZGNABQTQKLFMV-UHFFFAOYSA-N
XLogP4.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-propylbenzamide
CID 55350913
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119553054
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133189831
N-(cyclopropylmethyl)-2-methyl-N-propyl-5-sulfamoylbenzamide
CID 60637766
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119432581
2-[(4-chlorophenyl)sulfonylamino]-N,N-diethylbenzamide
CID 34838079
N-(cyclohexylmethyl)-2-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide
CID 39567590
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 154877409
N-cyclopropyl-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26693958
N-[2-[cyclopropyl(methylsulfonyl)amino]phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113093646
2-amino-N-(cyclopropylmethyl)-N-propylbenzamide
CID 22493330
N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 100695353

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-propylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-propylbenzamide (CID 112812922) is N-(cyclopropylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-propylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-propylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-propylbenzamide is CCCN(CC1CC1)C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(C)c1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-propylbenzamide?
The InChIKey is VZGNABQTQKLFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3S/c1-3-12-24(14-16-8-9-16)21(25)18-6-4-5-7-20(18)23-28(26,27)17-10-11-19(22)15(2)13-17/h4-7,10-11,13,16,23H,3,8-9,12,14H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-propylbenzamide?
N-(cyclopropylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-propylbenzamide has a molecular weight of 404.51 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-propylbenzamide is sourced from PubChem (CID 112812922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).