2-cyclopentyl-N-[2,6-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]thiomorpholin-4-yl]phenyl]acetamide

C26H31F3N2OS — CID 11525804

IUPAC2-cyclopentyl-N-[2,6-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]thiomorpholin-4-yl]phenyl]acetamide
SMILESCc1cc(N2CCSC(c3ccc(C(F)(F)F)cc3)C2)cc(C)c1NC(=O)CC1CCCC1
InChIInChI=1S/C26H31F3N2OS/c1-17-13-22(14-18(2)25(17)30-24(32)15-19-5-3-4-6-19)31-11-12-33-23(16-31)20-7-9-21(10-8-20)26(27,28)29/h7-10,13-14,19,23H,3-6,11-12,15-16H2,1-2H3,(H,30,32)
InChIKeyFKTVZYJYGPVDFU-UHFFFAOYSA-N
MW476.61 g/mol
LogP7.14
Rot. Bonds5

About 2-cyclopentyl-N-[2,6-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]thiomorpholin-4-yl]phenyl]acetamide

2-cyclopentyl-N-[2,6-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]thiomorpholin-4-yl]phenyl]acetamide (PubChem CID 11525804) has the molecular formula C26H31F3N2OS and a molecular weight of 476.61 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2,6-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]thiomorpholin-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2,6-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]thiomorpholin-4-yl]phenyl]acetamide
PubChem CID11525804
Molecular FormulaC26H31F3N2OS
Molecular Weight476.61 g/mol
Exact Mass476.21
IUPAC Name2-cyclopentyl-N-[2,6-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]thiomorpholin-4-yl]phenyl]acetamide
SMILESCc1cc(N2CCSC(c3ccc(C(F)(F)F)cc3)C2)cc(C)c1NC(=O)CC1CCCC1
InChIInChI=1S/C26H31F3N2OS/c1-17-13-22(14-18(2)25(17)30-24(32)15-19-5-3-4-6-19)31-11-12-33-23(16-31)20-7-9-21(10-8-20)26(27,28)29/h7-10,13-14,19,23H,3-6,11-12,15-16H2,1-2H3,(H,30,32)
InChIKeyFKTVZYJYGPVDFU-UHFFFAOYSA-N
XLogP7.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.61
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2,6-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]thiomorpholin-4-yl]phenyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[2,6-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]thiomorpholin-4-yl]phenyl]acetamide (CID 11525804) is 2-cyclopentyl-N-[2,6-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]thiomorpholin-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[2,6-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]thiomorpholin-4-yl]phenyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[2,6-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]thiomorpholin-4-yl]phenyl]acetamide is Cc1cc(N2CCSC(c3ccc(C(F)(F)F)cc3)C2)cc(C)c1NC(=O)CC1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-[2,6-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]thiomorpholin-4-yl]phenyl]acetamide?
The InChIKey is FKTVZYJYGPVDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F3N2OS/c1-17-13-22(14-18(2)25(17)30-24(32)15-19-5-3-4-6-19)31-11-12-33-23(16-31)20-7-9-21(10-8-20)26(27,28)29/h7-10,13-14,19,23H,3-6,11-12,15-16H2,1-2H3,(H,30,32).
What are the key properties of 2-cyclopentyl-N-[2,6-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]thiomorpholin-4-yl]phenyl]acetamide?
2-cyclopentyl-N-[2,6-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]thiomorpholin-4-yl]phenyl]acetamide has a molecular weight of 476.61 g/mol, XLogP of 7.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2,6-dimethyl-4-[2-[4-(trifluoromethyl)phenyl]thiomorpholin-4-yl]phenyl]acetamide is sourced from PubChem (CID 11525804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).