2-chloro-6-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]benzamide

C17H18ClFN2O2S — CID 124759832

IUPAC2-chloro-6-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]benzamide
SMILESO=C(NC[C@H](c1ccco1)N1CCSCC1)c1c(F)cccc1Cl
InChIInChI=1S/C17H18ClFN2O2S/c18-12-3-1-4-13(19)16(12)17(22)20-11-14(15-5-2-8-23-15)21-6-9-24-10-7-21/h1-5,8,14H,6-7,9-11H2,(H,20,22)/t14-/m1/s1
InChIKeyIDMZTEJBUMVETA-CQSZACIVSA-N
MW368.86 g/mol
LogP3.59
Rot. Bonds5

About 2-chloro-6-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]benzamide

2-chloro-6-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]benzamide (PubChem CID 124759832) has the molecular formula C17H18ClFN2O2S and a molecular weight of 368.86 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]benzamide
PubChem CID124759832
Molecular FormulaC17H18ClFN2O2S
Molecular Weight368.86 g/mol
Exact Mass368.08
IUPAC Name2-chloro-6-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]benzamide
SMILESO=C(NC[C@H](c1ccco1)N1CCSCC1)c1c(F)cccc1Cl
InChIInChI=1S/C17H18ClFN2O2S/c18-12-3-1-4-13(19)16(12)17(22)20-11-14(15-5-2-8-23-15)21-6-9-24-10-7-21/h1-5,8,14H,6-7,9-11H2,(H,20,22)/t14-/m1/s1
InChIKeyIDMZTEJBUMVETA-CQSZACIVSA-N
XLogP3.59
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-6-fluorobenzamide
CID 7178943
2,6-difluoro-N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
CID 41234350
2-fluoro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834331
N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-4-(trifluoromethyl)benzamide
CID 124878574
(E)-3-(2-chlorophenyl)-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide
CID 124760652
methyl 4-[[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]carbamoyl]benzoate
CID 124727899
2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 40752685
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide
CID 112503384
2,4-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 18161350
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 124877563
2,4-difluoro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-hydroxybenzamide
CID 86861584

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]benzamide (CID 124759832) is 2-chloro-6-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]benzamide is O=C(NC[C@H](c1ccco1)N1CCSCC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]benzamide?
The InChIKey is IDMZTEJBUMVETA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18ClFN2O2S/c18-12-3-1-4-13(19)16(12)17(22)20-11-14(15-5-2-8-23-15)21-6-9-24-10-7-21/h1-5,8,14H,6-7,9-11H2,(H,20,22)/t14-/m1/s1.
What are the key properties of 2-chloro-6-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]benzamide?
2-chloro-6-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]benzamide has a molecular weight of 368.86 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]benzamide is sourced from PubChem (CID 124759832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).