(2S)-N-(4-fluorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide

C24H24FN3O4S — CID 118038126

IUPAC(2S)-N-(4-fluorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccc(F)cc1
InChIInChI=1S/C24H24FN3O4S/c1-17-8-6-7-11-22(17)33(31,32)27-24(30)26-21(16-18-9-4-3-5-10-18)23(29)28(2)20-14-12-19(25)13-15-20/h3-15,21H,16H2,1-2H3,(H2,26,27,30)/t21-/m0/s1
InChIKeyLXUSEKFPZWWUDK-NRFANRHFSA-N
MW469.54 g/mol
LogP3.40
Rot. Bonds7

About (2S)-N-(4-fluorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide

(2S)-N-(4-fluorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide (PubChem CID 118038126) has the molecular formula C24H24FN3O4S and a molecular weight of 469.54 g/mol. Its IUPAC name is (2S)-N-(4-fluorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-fluorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
PubChem CID118038126
Molecular FormulaC24H24FN3O4S
Molecular Weight469.54 g/mol
Exact Mass469.15
IUPAC Name(2S)-N-(4-fluorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccc(F)cc1
InChIInChI=1S/C24H24FN3O4S/c1-17-8-6-7-11-22(17)33(31,32)27-24(30)26-21(16-18-9-4-3-5-10-18)23(29)28(2)20-14-12-19(25)13-15-20/h3-15,21H,16H2,1-2H3,(H2,26,27,30)/t21-/m0/s1
InChIKeyLXUSEKFPZWWUDK-NRFANRHFSA-N
XLogP3.40
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide?
The IUPAC name of (2S)-N-(4-fluorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide (CID 118038126) is (2S)-N-(4-fluorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-(4-fluorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide?
The canonical SMILES for (2S)-N-(4-fluorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide is Cc1ccccc1S(=O)(=O)NC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccc(F)cc1.
What is the InChIKey of (2S)-N-(4-fluorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide?
The InChIKey is LXUSEKFPZWWUDK-NRFANRHFSA-N. The full InChI is InChI=1S/C24H24FN3O4S/c1-17-8-6-7-11-22(17)33(31,32)27-24(30)26-21(16-18-9-4-3-5-10-18)23(29)28(2)20-14-12-19(25)13-15-20/h3-15,21H,16H2,1-2H3,(H2,26,27,30)/t21-/m0/s1.
What are the key properties of (2S)-N-(4-fluorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide?
(2S)-N-(4-fluorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide has a molecular weight of 469.54 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluorophenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide is sourced from PubChem (CID 118038126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).