N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-9,10,10-trioxothioxanthene-3-carboxamide

C20H17N3O5S — CID 95786288

IUPACN-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-9,10,10-trioxothioxanthene-3-carboxamide
SMILESCC[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1noc(C)n1
InChIInChI=1S/C20H17N3O5S/c1-3-15(19-21-11(2)28-23-19)22-20(25)12-8-9-14-17(10-12)29(26,27)16-7-5-4-6-13(16)18(14)24/h4-10,15H,3H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyRHQIDIVLECSYAJ-HNNXBMFYSA-N
MW411.44 g/mol
LogP2.64
Rot. Bonds4

About N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-9,10,10-trioxothioxanthene-3-carboxamide

N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-9,10,10-trioxothioxanthene-3-carboxamide (PubChem CID 95786288) has the molecular formula C20H17N3O5S and a molecular weight of 411.44 g/mol. Its IUPAC name is N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-9,10,10-trioxothioxanthene-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-9,10,10-trioxothioxanthene-3-carboxamide
PubChem CID95786288
Molecular FormulaC20H17N3O5S
Molecular Weight411.44 g/mol
Exact Mass411.09
IUPAC NameN-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-9,10,10-trioxothioxanthene-3-carboxamide
SMILESCC[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1noc(C)n1
InChIInChI=1S/C20H17N3O5S/c1-3-15(19-21-11(2)28-23-19)22-20(25)12-8-9-14-17(10-12)29(26,27)16-7-5-4-6-13(16)18(14)24/h4-10,15H,3H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyRHQIDIVLECSYAJ-HNNXBMFYSA-N
XLogP2.64
TPSA119.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-9,10,10-trioxothioxanthene-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-N,4-N-bis[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzene-1,4-dicarboxamide
CID 166219715
3,5-dichloro-N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzamide
CID 95786298
N-[2-(diethylamino)-2-phenylethyl]-9,10,10-trioxothioxanthene-3-carboxamide
CID 42907256
N-hexyl-9,10,10-trioxothioxanthene-3-carboxamide
CID 8886288
N-[2-[[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]amino]-2-oxoethyl]-4-phenylbenzamide
CID 95786459
N-(2-bromoprop-2-enyl)-9,10,10-trioxothioxanthene-3-carboxamide
CID 51126376
N-(4-acetylphenyl)-9,10,10-trioxothioxanthene-3-carboxamide
CID 7945387
9,10,10-trioxo-N-pyridin-2-ylthioxanthene-3-carboxamide
CID 2331607
N-cycloheptyl-9,10,10-trioxothioxanthene-3-carboxamide
CID 2409921
dimethyl-[(1R)-1-phenyl-2-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]ethyl]azanium
CID 2375617
(2-methoxy-2-oxoethyl) 9,10,10-trioxothioxanthene-3-carboxylate
CID 16568626
N-cyclopentyl-9,10,10-trioxothioxanthene-3-carboxamide
CID 7962238

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-9,10,10-trioxothioxanthene-3-carboxamide?
The IUPAC name of N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-9,10,10-trioxothioxanthene-3-carboxamide (CID 95786288) is N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-9,10,10-trioxothioxanthene-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-9,10,10-trioxothioxanthene-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-9,10,10-trioxothioxanthene-3-carboxamide is CC[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1noc(C)n1.
What is the InChIKey of N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-9,10,10-trioxothioxanthene-3-carboxamide?
The InChIKey is RHQIDIVLECSYAJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H17N3O5S/c1-3-15(19-21-11(2)28-23-19)22-20(25)12-8-9-14-17(10-12)29(26,27)16-7-5-4-6-13(16)18(14)24/h4-10,15H,3H2,1-2H3,(H,22,25)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-9,10,10-trioxothioxanthene-3-carboxamide?
N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-9,10,10-trioxothioxanthene-3-carboxamide has a molecular weight of 411.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-9,10,10-trioxothioxanthene-3-carboxamide is sourced from PubChem (CID 95786288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).