N-ethyl-2-(4-fluorobenzoyl)-N-[2-methyl-1-[(4-methylphenyl)sulfonylamino]propan-2-yl]benzamide

C27H29FN2O4S — CID 54154771

IUPACN-ethyl-2-(4-fluorobenzoyl)-N-[2-methyl-1-[(4-methylphenyl)sulfonylamino]propan-2-yl]benzamide
SMILESCCN(C(=O)c1ccccc1C(=O)c1ccc(F)cc1)C(C)(C)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C27H29FN2O4S/c1-5-30(27(3,4)18-29-35(33,34)22-16-10-19(2)11-17-22)26(32)24-9-7-6-8-23(24)25(31)20-12-14-21(28)15-13-20/h6-17,29H,5,18H2,1-4H3
InChIKeyOKGKSGBOLBQJJZ-UHFFFAOYSA-N
MW496.60 g/mol
LogP4.58
Rot. Bonds9

About N-ethyl-2-(4-fluorobenzoyl)-N-[2-methyl-1-[(4-methylphenyl)sulfonylamino]propan-2-yl]benzamide

N-ethyl-2-(4-fluorobenzoyl)-N-[2-methyl-1-[(4-methylphenyl)sulfonylamino]propan-2-yl]benzamide (PubChem CID 54154771) has the molecular formula C27H29FN2O4S and a molecular weight of 496.60 g/mol. Its IUPAC name is N-ethyl-2-(4-fluorobenzoyl)-N-[2-methyl-1-[(4-methylphenyl)sulfonylamino]propan-2-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-2-(4-fluorobenzoyl)-N-[2-methyl-1-[(4-methylphenyl)sulfonylamino]propan-2-yl]benzamide
PubChem CID54154771
Molecular FormulaC27H29FN2O4S
Molecular Weight496.60 g/mol
Exact Mass496.18
IUPAC NameN-ethyl-2-(4-fluorobenzoyl)-N-[2-methyl-1-[(4-methylphenyl)sulfonylamino]propan-2-yl]benzamide
SMILESCCN(C(=O)c1ccccc1C(=O)c1ccc(F)cc1)C(C)(C)CNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C27H29FN2O4S/c1-5-30(27(3,4)18-29-35(33,34)22-16-10-19(2)11-17-22)26(32)24-9-7-6-8-23(24)25(31)20-12-14-21(28)15-13-20/h6-17,29H,5,18H2,1-4H3
InChIKeyOKGKSGBOLBQJJZ-UHFFFAOYSA-N
XLogP4.58
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.60
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorobenzoyl)-N-ethyl-N-[(1R,2R)-2-[(4-methylphenyl)sulfonylamino]cyclohexyl]benzamide
CID 54453079
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CID 169372767
N-(2-amino-2-methylpropyl)-2-(4-methylbenzoyl)benzamide
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N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(4-methylbenzoyl)benzamide
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N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
CID 119988167
N-(2,3-dimethyl-2-phenylbut-3-enyl)-4-methylbenzenesulfonamide
CID 10065175
N-[2-benzoyl-5-(4-fluorophenyl)-5-oxo-3-phenylpentyl]-4-methylbenzenesulfonamide
CID 162349367
1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-(4-methylphenyl)sulfonylurea
CID 110291410
N-(2-cyclopropyl-2-hydroxypropyl)-4-fluorobenzenesulfonamide
CID 90499351
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CID 894224
4-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
CID 90501111
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CID 5174849

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluorobenzoyl)-N-[2-methyl-1-[(4-methylphenyl)sulfonylamino]propan-2-yl]benzamide?
The IUPAC name of N-ethyl-2-(4-fluorobenzoyl)-N-[2-methyl-1-[(4-methylphenyl)sulfonylamino]propan-2-yl]benzamide (CID 54154771) is N-ethyl-2-(4-fluorobenzoyl)-N-[2-methyl-1-[(4-methylphenyl)sulfonylamino]propan-2-yl]benzamide.
What is the SMILES notation for N-ethyl-2-(4-fluorobenzoyl)-N-[2-methyl-1-[(4-methylphenyl)sulfonylamino]propan-2-yl]benzamide?
The canonical SMILES for N-ethyl-2-(4-fluorobenzoyl)-N-[2-methyl-1-[(4-methylphenyl)sulfonylamino]propan-2-yl]benzamide is CCN(C(=O)c1ccccc1C(=O)c1ccc(F)cc1)C(C)(C)CNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-2-(4-fluorobenzoyl)-N-[2-methyl-1-[(4-methylphenyl)sulfonylamino]propan-2-yl]benzamide?
The InChIKey is OKGKSGBOLBQJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O4S/c1-5-30(27(3,4)18-29-35(33,34)22-16-10-19(2)11-17-22)26(32)24-9-7-6-8-23(24)25(31)20-12-14-21(28)15-13-20/h6-17,29H,5,18H2,1-4H3.
What are the key properties of N-ethyl-2-(4-fluorobenzoyl)-N-[2-methyl-1-[(4-methylphenyl)sulfonylamino]propan-2-yl]benzamide?
N-ethyl-2-(4-fluorobenzoyl)-N-[2-methyl-1-[(4-methylphenyl)sulfonylamino]propan-2-yl]benzamide has a molecular weight of 496.60 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluorobenzoyl)-N-[2-methyl-1-[(4-methylphenyl)sulfonylamino]propan-2-yl]benzamide is sourced from PubChem (CID 54154771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).