(3R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide

C17H14F4N2O3S — CID 97105071

IUPAC(3R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@H]1COCC(=O)N1Cc1cccs1
InChIInChI=1S/C17H14F4N2O3S/c18-13-4-3-10(6-12(13)17(19,20)21)22-16(25)14-8-26-9-15(24)23(14)7-11-2-1-5-27-11/h1-6,14H,7-9H2,(H,22,25)/t14-/m1/s1
InChIKeyGQRFYBDJIUYJIC-CQSZACIVSA-N
MW402.37 g/mol
LogP3.27
Rot. Bonds4

About (3R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide

(3R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide (PubChem CID 97105071) has the molecular formula C17H14F4N2O3S and a molecular weight of 402.37 g/mol. Its IUPAC name is (3R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
PubChem CID97105071
Molecular FormulaC17H14F4N2O3S
Molecular Weight402.37 g/mol
Exact Mass402.07
IUPAC Name(3R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@H]1COCC(=O)N1Cc1cccs1
InChIInChI=1S/C17H14F4N2O3S/c18-13-4-3-10(6-12(13)17(19,20)21)22-16(25)14-8-26-9-15(24)23(14)7-11-2-1-5-27-11/h1-6,14H,7-9H2,(H,22,25)/t14-/m1/s1
InChIKeyGQRFYBDJIUYJIC-CQSZACIVSA-N
XLogP3.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N1-(2-(4-methylpiperazin-1-yl)-2-(thiophen-3-yl)ethyl)-N2-(3-(trifluoromethyl)phenyl)oxalamide
CID 16932325
N1-(3-fluoro-4-methylphenyl)-N2-(2-morpholino-2-(thiophen-3-yl)ethyl)oxalamide
CID 16932473
N1-(2,4-difluorophenyl)-N2-(2-morpholino-2-(thiophen-2-yl)ethyl)oxalamide
CID 18589173
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 24237386
3-morpholin-4-yl-N-[3-[(thiophen-2-ylmethylamino)methyl]phenyl]propanamide
CID 47052619
3-morpholin-4-yl-N-[3-[(thiophen-3-ylmethylamino)methyl]phenyl]propanamide
CID 47052620
N'-(2-fluorophenyl)-N-[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]ethanediamide
CID 18589172
N1-(2-(4-(dimethylamino)phenyl)-2-morpholinoethyl)-N2-(thiophen-2-ylmethyl)oxalamide
CID 18583633
4-benzyl-5-oxo-N-[(thiophen-2-yl)methyl]morpholine-3-carboxamide
CID 56765970
N-[(4-fluorophenyl)methyl]-2-[2-morpholin-4-ylethyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 1028889
2-[(2-fluorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 1028893
N-benzyl-2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl-(2-methoxyethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3886339

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide?
The IUPAC name of (3R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide (CID 97105071) is (3R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide is O=C(Nc1ccc(F)c(C(F)(F)F)c1)[C@H]1COCC(=O)N1Cc1cccs1.
What is the InChIKey of (3R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide?
The InChIKey is GQRFYBDJIUYJIC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H14F4N2O3S/c18-13-4-3-10(6-12(13)17(19,20)21)22-16(25)14-8-26-9-15(24)23(14)7-11-2-1-5-27-11/h1-6,14H,7-9H2,(H,22,25)/t14-/m1/s1.
What are the key properties of (3R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide?
(3R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide has a molecular weight of 402.37 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide is sourced from PubChem (CID 97105071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).