(3S)-N-benzyl-3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide

C23H23FN2O3S — CID 135064133

IUPAC(3S)-N-benzyl-3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CC(=O)NCc2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H23FN2O3S/c1-17-7-13-21(14-8-17)30(28,29)26-22(19-9-11-20(24)12-10-19)15-23(27)25-16-18-5-3-2-4-6-18/h2-14,22,26H,15-16H2,1H3,(H,25,27)/t22-/m0/s1
InChIKeyPXWWDDOIYBYXPP-QFIPXVFZSA-N
MW426.51 g/mol
LogP3.86
Rot. Bonds8

About (3S)-N-benzyl-3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide

(3S)-N-benzyl-3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 135064133) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is (3S)-N-benzyl-3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(3S)-N-benzyl-3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID135064133
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC Name(3S)-N-benzyl-3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CC(=O)NCc2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H23FN2O3S/c1-17-7-13-21(14-8-17)30(28,29)26-22(19-9-11-20(24)12-10-19)15-23(27)25-16-18-5-3-2-4-6-18/h2-14,22,26H,15-16H2,1H3,(H,25,27)/t22-/m0/s1
InChIKeyPXWWDDOIYBYXPP-QFIPXVFZSA-N
XLogP3.86
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 4288
CID 4288
CID 4290
CID 4290
CID 446240
CID 446240
CID 1700
CID 1700
CID 446237
CID 446237
CID 446238
CID 446238
CID 446239
CID 446239
CID 446241
CID 446241
CID 446242
CID 446242
CID 4119643
CID 4119643
CID 10946908
CID 10946908
CID 146171281
CID 146171281

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzyl-3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of (3S)-N-benzyl-3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide (CID 135064133) is (3S)-N-benzyl-3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (3S)-N-benzyl-3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for (3S)-N-benzyl-3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)NCc2ccccc2)c2ccc(F)cc2)cc1.
What is the InChIKey of (3S)-N-benzyl-3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is PXWWDDOIYBYXPP-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c1-17-7-13-21(14-8-17)30(28,29)26-22(19-9-11-20(24)12-10-19)15-23(27)25-16-18-5-3-2-4-6-18/h2-14,22,26H,15-16H2,1H3,(H,25,27)/t22-/m0/s1.
What are the key properties of (3S)-N-benzyl-3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
(3S)-N-benzyl-3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 426.51 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzyl-3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 135064133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).