(3S)-3-[[dimethylsulfamoyl(methyl)amino]methyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide

C23H26FN5O6S — CID 59158323

IUPAC(3S)-3-[[dimethylsulfamoyl(methyl)amino]methyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide
SMILESCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)C[C@@H](CN(C)S(=O)(=O)N(C)C)O3
InChIInChI=1S/C23H26FN5O6S/c1-25-22(31)17-20(30)18-19-21(14(10-26-18)9-13-5-7-15(24)8-6-13)35-16(12-29(19)23(17)32)11-28(4)36(33,34)27(2)3/h5-8,10,16,30H,9,11-12H2,1-4H3,(H,25,31)/t16-/m1/s1
InChIKeyZZFITRYULFVNLG-MRXNPFEDSA-N
MW519.56 g/mol
LogP0.69
Rot. Bonds7

About (3S)-3-[[dimethylsulfamoyl(methyl)amino]methyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide

(3S)-3-[[dimethylsulfamoyl(methyl)amino]methyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide (PubChem CID 59158323) has the molecular formula C23H26FN5O6S and a molecular weight of 519.56 g/mol. Its IUPAC name is (3S)-3-[[dimethylsulfamoyl(methyl)amino]methyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide.

Molecular Properties

Compound Name(3S)-3-[[dimethylsulfamoyl(methyl)amino]methyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide
PubChem CID59158323
Molecular FormulaC23H26FN5O6S
Molecular Weight519.56 g/mol
Exact Mass519.16
IUPAC Name(3S)-3-[[dimethylsulfamoyl(methyl)amino]methyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide
SMILESCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)C[C@@H](CN(C)S(=O)(=O)N(C)C)O3
InChIInChI=1S/C23H26FN5O6S/c1-25-22(31)17-20(30)18-19-21(14(10-26-18)9-13-5-7-15(24)8-6-13)35-16(12-29(19)23(17)32)11-28(4)36(33,34)27(2)3/h5-8,10,16,30H,9,11-12H2,1-4H3,(H,25,31)/t16-/m1/s1
InChIKeyZZFITRYULFVNLG-MRXNPFEDSA-N
XLogP0.69
TPSA134.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.56
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3S)-3-[[dimethylsulfamoyl(methyl)amino]methyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[dimethylsulfamoyl(methyl)amino]methyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide?
The IUPAC name of (3S)-3-[[dimethylsulfamoyl(methyl)amino]methyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide (CID 59158323) is (3S)-3-[[dimethylsulfamoyl(methyl)amino]methyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide.
What is the SMILES notation for (3S)-3-[[dimethylsulfamoyl(methyl)amino]methyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide?
The canonical SMILES for (3S)-3-[[dimethylsulfamoyl(methyl)amino]methyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide is CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)C[C@@H](CN(C)S(=O)(=O)N(C)C)O3.
What is the InChIKey of (3S)-3-[[dimethylsulfamoyl(methyl)amino]methyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide?
The InChIKey is ZZFITRYULFVNLG-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H26FN5O6S/c1-25-22(31)17-20(30)18-19-21(14(10-26-18)9-13-5-7-15(24)8-6-13)35-16(12-29(19)23(17)32)11-28(4)36(33,34)27(2)3/h5-8,10,16,30H,9,11-12H2,1-4H3,(H,25,31)/t16-/m1/s1.
What are the key properties of (3S)-3-[[dimethylsulfamoyl(methyl)amino]methyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide?
(3S)-3-[[dimethylsulfamoyl(methyl)amino]methyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide has a molecular weight of 519.56 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[dimethylsulfamoyl(methyl)amino]methyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-N-methyl-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide is sourced from PubChem (CID 59158323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).