ethane;4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide;2-methylsulfanylethanamine

C18H30FN3O3S — CID 145139009

IUPACethane;4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide;2-methylsulfanylethanamine
SMILESCC.CSCCN.O=C(NCC(=O)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O3.C3H9NS.C2H6/c14-11-3-1-10(2-4-11)13(18)15-9-12(17)16-5-7-19-8-6-16;1-5-3-2-4;1-2/h1-4H,5-9H2,(H,15,18);2-4H2,1H3;1-2H3
InChIKeyIYFDSDQDFYYOEJ-UHFFFAOYSA-N
MW387.52 g/mol
LogP1.75
Rot. Bonds5

About ethane;4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide;2-methylsulfanylethanamine

ethane;4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide;2-methylsulfanylethanamine (PubChem CID 145139009) has the molecular formula C18H30FN3O3S and a molecular weight of 387.52 g/mol. Its IUPAC name is ethane;4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide;2-methylsulfanylethanamine.

Molecular Properties

Compound Nameethane;4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide;2-methylsulfanylethanamine
PubChem CID145139009
Molecular FormulaC18H30FN3O3S
Molecular Weight387.52 g/mol
Exact Mass387.20
IUPAC Nameethane;4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide;2-methylsulfanylethanamine
SMILESCC.CSCCN.O=C(NCC(=O)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O3.C3H9NS.C2H6/c14-11-3-1-10(2-4-11)13(18)15-9-12(17)16-5-7-19-8-6-16;1-5-3-2-4;1-2/h1-4H,5-9H2,(H,15,18);2-4H2,1H3;1-2H3
InChIKeyIYFDSDQDFYYOEJ-UHFFFAOYSA-N
XLogP1.75
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide;2-methylsulfanylethanol
CID 145138996
4-tert-butyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258300
4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 46577163
4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9081763
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide
CID 112991677
4-ethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258304
N-[2-[4-(difluoromethylidene)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzamide
CID 126829414
6-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)quinoline-3-carboxamide
CID 146126137
4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 26590726
ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-4-carboxylate
CID 27555474
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 9081766
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81348384

Frequently Asked Questions

What is the IUPAC name of ethane;4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide;2-methylsulfanylethanamine?
The IUPAC name of ethane;4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide;2-methylsulfanylethanamine (CID 145139009) is ethane;4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide;2-methylsulfanylethanamine.
What is the SMILES notation for ethane;4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide;2-methylsulfanylethanamine?
The canonical SMILES for ethane;4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide;2-methylsulfanylethanamine is CC.CSCCN.O=C(NCC(=O)N1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of ethane;4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide;2-methylsulfanylethanamine?
The InChIKey is IYFDSDQDFYYOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3.C3H9NS.C2H6/c14-11-3-1-10(2-4-11)13(18)15-9-12(17)16-5-7-19-8-6-16;1-5-3-2-4;1-2/h1-4H,5-9H2,(H,15,18);2-4H2,1H3;1-2H3.
What are the key properties of ethane;4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide;2-methylsulfanylethanamine?
ethane;4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide;2-methylsulfanylethanamine has a molecular weight of 387.52 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide;2-methylsulfanylethanamine is sourced from PubChem (CID 145139009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).