N'-(3-fluoro-4-methylphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]oxamide

C15H19FN2O3S — CID 97414772

IUPACN'-(3-fluoro-4-methylphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]oxamide
SMILESCO[C@]1(CNC(=O)C(=O)Nc2ccc(C)c(F)c2)CCSC1
InChIInChI=1S/C15H19FN2O3S/c1-10-3-4-11(7-12(10)16)18-14(20)13(19)17-8-15(21-2)5-6-22-9-15/h3-4,7H,5-6,8-9H2,1-2H3,(H,17,19)(H,18,20)/t15-/m0/s1
InChIKeyWQKBVKJKCYLERM-HNNXBMFYSA-N
MW326.39 g/mol
LogP1.71
Rot. Bonds4

About N'-(3-fluoro-4-methylphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]oxamide

N'-(3-fluoro-4-methylphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]oxamide (PubChem CID 97414772) has the molecular formula C15H19FN2O3S and a molecular weight of 326.39 g/mol. Its IUPAC name is N'-(3-fluoro-4-methylphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(3-fluoro-4-methylphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]oxamide
PubChem CID97414772
Molecular FormulaC15H19FN2O3S
Molecular Weight326.39 g/mol
Exact Mass326.11
IUPAC NameN'-(3-fluoro-4-methylphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]oxamide
SMILESCO[C@]1(CNC(=O)C(=O)Nc2ccc(C)c(F)c2)CCSC1
InChIInChI=1S/C15H19FN2O3S/c1-10-3-4-11(7-12(10)16)18-14(20)13(19)17-8-15(21-2)5-6-22-9-15/h3-4,7H,5-6,8-9H2,1-2H3,(H,17,19)(H,18,20)/t15-/m0/s1
InChIKeyWQKBVKJKCYLERM-HNNXBMFYSA-N
XLogP1.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-(3-fluoro-4-methylphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]oxamide with MolForge

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Related Compounds

N-[[(3S)-3-methoxythiolan-3-yl]methyl]-N'-pyridin-3-yloxamide
CID 97414759
N-[(3-methoxythiolan-3-yl)methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 90584491
N-(2-methoxyethyl)-N'-[(3-methoxythiolan-3-yl)methyl]oxamide
CID 90584430
1-(4-methoxyphenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 71804942
N-[(3-methoxythiolan-3-yl)methyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 90584498
1-[(3-methoxythiolan-3-yl)methyl]-3-(2-methylphenyl)urea
CID 71804937
1-[(4-fluorophenyl)methyl]-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 90584515
N-[(3-methoxythiolan-3-yl)methyl]-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
CID 71804932
1-[(4-methoxythian-4-yl)methyl]-3-(3-methylphenyl)urea
CID 91816850
N-[(3-methoxythiolan-3-yl)methyl]-4-methyl-3-nitrobenzamide
CID 90584286
N-[4-[[(3S)-3-methoxythiolan-3-yl]methylsulfamoyl]-3-methylphenyl]propanamide
CID 97414748
1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 65465257

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluoro-4-methylphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]oxamide?
The IUPAC name of N'-(3-fluoro-4-methylphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]oxamide (CID 97414772) is N'-(3-fluoro-4-methylphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]oxamide.
What is the SMILES notation for N'-(3-fluoro-4-methylphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]oxamide?
The canonical SMILES for N'-(3-fluoro-4-methylphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]oxamide is CO[C@]1(CNC(=O)C(=O)Nc2ccc(C)c(F)c2)CCSC1.
What is the InChIKey of N'-(3-fluoro-4-methylphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]oxamide?
The InChIKey is WQKBVKJKCYLERM-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19FN2O3S/c1-10-3-4-11(7-12(10)16)18-14(20)13(19)17-8-15(21-2)5-6-22-9-15/h3-4,7H,5-6,8-9H2,1-2H3,(H,17,19)(H,18,20)/t15-/m0/s1.
What are the key properties of N'-(3-fluoro-4-methylphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]oxamide?
N'-(3-fluoro-4-methylphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]oxamide has a molecular weight of 326.39 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluoro-4-methylphenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]oxamide is sourced from PubChem (CID 97414772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).