N-[4-(cyclopropylcarbamoylamino)phenyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide

C24H23FN4O4S — CID 55535256

IUPACN-[4-(cyclopropylcarbamoylamino)phenyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)Nc1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C24H23FN4O4S/c1-15-6-13-19(34(32,33)29-22-5-3-2-4-21(22)25)14-20(15)23(30)26-16-7-9-17(10-8-16)27-24(31)28-18-11-12-18/h2-10,13-14,18,29H,11-12H2,1H3,(H,26,30)(H2,27,28,31)
InChIKeyFGYPQMABCDXGLV-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.47
Rot. Bonds7

About N-[4-(cyclopropylcarbamoylamino)phenyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide

N-[4-(cyclopropylcarbamoylamino)phenyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide (PubChem CID 55535256) has the molecular formula C24H23FN4O4S and a molecular weight of 482.54 g/mol. Its IUPAC name is N-[4-(cyclopropylcarbamoylamino)phenyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(cyclopropylcarbamoylamino)phenyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
PubChem CID55535256
Molecular FormulaC24H23FN4O4S
Molecular Weight482.54 g/mol
Exact Mass482.14
IUPAC NameN-[4-(cyclopropylcarbamoylamino)phenyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)Nc1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C24H23FN4O4S/c1-15-6-13-19(34(32,33)29-22-5-3-2-4-21(22)25)14-20(15)23(30)26-16-7-9-17(10-8-16)27-24(31)28-18-11-12-18/h2-10,13-14,18,29H,11-12H2,1H3,(H,26,30)(H2,27,28,31)
InChIKeyFGYPQMABCDXGLV-UHFFFAOYSA-N
XLogP4.47
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26693958
N-(4-ethylphenyl)-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26697270
N-(2-fluorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 34857283
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 24683131
N-cycloheptyl-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 25342365
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2496418
N-(2-fluorophenyl)-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 8707607
[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoate
CID 24588058
ethyl N-[2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]ethyl]carbamate
CID 56557791
propan-2-yl 2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate
CID 56550971
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-piperidin-4-ylbenzamide
CID 119386331
N-cycloheptyl-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 71903641

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylcarbamoylamino)phenyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide?
The IUPAC name of N-[4-(cyclopropylcarbamoylamino)phenyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide (CID 55535256) is N-[4-(cyclopropylcarbamoylamino)phenyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-(cyclopropylcarbamoylamino)phenyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide?
The canonical SMILES for N-[4-(cyclopropylcarbamoylamino)phenyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)Nc1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of N-[4-(cyclopropylcarbamoylamino)phenyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide?
The InChIKey is FGYPQMABCDXGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O4S/c1-15-6-13-19(34(32,33)29-22-5-3-2-4-21(22)25)14-20(15)23(30)26-16-7-9-17(10-8-16)27-24(31)28-18-11-12-18/h2-10,13-14,18,29H,11-12H2,1H3,(H,26,30)(H2,27,28,31).
What are the key properties of N-[4-(cyclopropylcarbamoylamino)phenyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide?
N-[4-(cyclopropylcarbamoylamino)phenyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide has a molecular weight of 482.54 g/mol, XLogP of 4.47, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylcarbamoylamino)phenyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 55535256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).