3-amino-5-fluoro-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)benzamide

C15H21FN2O2S — CID 61106235

IUPAC3-amino-5-fluoro-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)benzamide
SMILESCOCCN(C(=O)c1cc(N)c(C)c(F)c1)C1CCSC1
InChIInChI=1S/C15H21FN2O2S/c1-10-13(16)7-11(8-14(10)17)15(19)18(4-5-20-2)12-3-6-21-9-12/h7-8,12H,3-6,9,17H2,1-2H3
InChIKeySJZUSFWUROXUMS-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.31
Rot. Bonds5

About 3-amino-5-fluoro-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)benzamide

3-amino-5-fluoro-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)benzamide (PubChem CID 61106235) has the molecular formula C15H21FN2O2S and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)benzamide
PubChem CID61106235
Molecular FormulaC15H21FN2O2S
Molecular Weight312.41 g/mol
Exact Mass312.13
IUPAC Name3-amino-5-fluoro-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)benzamide
SMILESCOCCN(C(=O)c1cc(N)c(C)c(F)c1)C1CCSC1
InChIInChI=1S/C15H21FN2O2S/c1-10-13(16)7-11(8-14(10)17)15(19)18(4-5-20-2)12-3-6-21-9-12/h7-8,12H,3-6,9,17H2,1-2H3
InChIKeySJZUSFWUROXUMS-UHFFFAOYSA-N
XLogP2.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-{[(2-methoxyethyl)amino]carbonyl}-2-methylphenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
CID 22554009
2-methoxy-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]propanamide
CID 53551714
5-amino-2-fluoro-4-methyl-N-(oxolan-3-yl)benzamide
CID 152827170
3-amino-4-methyl-N-[(3S)-1,1,1-trifluoro-4-methoxypentan-3-yl]benzamide
CID 163809887
N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide
CID 8063843
N-[3-[(2S)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide
CID 8063844
4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N,N-bis(2-methoxyethyl)benzamide
CID 39080468
4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide
CID 39083999
2-amino-5-fluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 43296709
3-amino-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide
CID 43381780
3-amino-4-fluoro-N-(1-methoxypropan-2-yl)benzamide
CID 43436935
3-amino-4-fluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 43437025

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)benzamide?
The IUPAC name of 3-amino-5-fluoro-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)benzamide (CID 61106235) is 3-amino-5-fluoro-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)benzamide.
What is the SMILES notation for 3-amino-5-fluoro-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)benzamide?
The canonical SMILES for 3-amino-5-fluoro-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)benzamide is COCCN(C(=O)c1cc(N)c(C)c(F)c1)C1CCSC1.
What is the InChIKey of 3-amino-5-fluoro-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)benzamide?
The InChIKey is SJZUSFWUROXUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2S/c1-10-13(16)7-11(8-14(10)17)15(19)18(4-5-20-2)12-3-6-21-9-12/h7-8,12H,3-6,9,17H2,1-2H3.
What are the key properties of 3-amino-5-fluoro-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)benzamide?
3-amino-5-fluoro-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)benzamide has a molecular weight of 312.41 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)benzamide is sourced from PubChem (CID 61106235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).