(2R)-2-amino-N-(3,4-dimethylphenyl)-2-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride

C23H24ClF3N2OS — CID 68725094

IUPAC(2R)-2-amino-N-(3,4-dimethylphenyl)-2-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
SMILESCc1ccc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)[C@@H](N)c2cccs2)cc1C.Cl
InChIInChI=1S/C23H23F3N2OS.ClH/c1-15-5-10-19(14-16(15)2)28(22(29)21(27)20-4-3-13-30-20)12-11-17-6-8-18(9-7-17)23(24,25)26;/h3-10,13-14,21H,11-12,27H2,1-2H3;1H/t21-;/m0./s1
InChIKeyHFKCMAHSSAQPSC-BOXHHOBZSA-N
MW468.97 g/mol
LogP6.08
Rot. Bonds6

About (2R)-2-amino-N-(3,4-dimethylphenyl)-2-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride

(2R)-2-amino-N-(3,4-dimethylphenyl)-2-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride (PubChem CID 68725094) has the molecular formula C23H24ClF3N2OS and a molecular weight of 468.97 g/mol. Its IUPAC name is (2R)-2-amino-N-(3,4-dimethylphenyl)-2-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-(3,4-dimethylphenyl)-2-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
PubChem CID68725094
Molecular FormulaC23H24ClF3N2OS
Molecular Weight468.97 g/mol
Exact Mass468.12
IUPAC Name(2R)-2-amino-N-(3,4-dimethylphenyl)-2-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
SMILESCc1ccc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)[C@@H](N)c2cccs2)cc1C.Cl
InChIInChI=1S/C23H23F3N2OS.ClH/c1-15-5-10-19(14-16(15)2)28(22(29)21(27)20-4-3-13-30-20)12-11-17-6-8-18(9-7-17)23(24,25)26;/h3-10,13-14,21H,11-12,27H2,1-2H3;1H/t21-;/m0./s1
InChIKeyHFKCMAHSSAQPSC-BOXHHOBZSA-N
XLogP6.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.97
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3,4-dimethylphenyl)-2-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-(3,4-dimethylphenyl)-2-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride (CID 68725094) is (2R)-2-amino-N-(3,4-dimethylphenyl)-2-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-(3,4-dimethylphenyl)-2-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-(3,4-dimethylphenyl)-2-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride is Cc1ccc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)[C@@H](N)c2cccs2)cc1C.Cl.
What is the InChIKey of (2R)-2-amino-N-(3,4-dimethylphenyl)-2-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride?
The InChIKey is HFKCMAHSSAQPSC-BOXHHOBZSA-N. The full InChI is InChI=1S/C23H23F3N2OS.ClH/c1-15-5-10-19(14-16(15)2)28(22(29)21(27)20-4-3-13-30-20)12-11-17-6-8-18(9-7-17)23(24,25)26;/h3-10,13-14,21H,11-12,27H2,1-2H3;1H/t21-;/m0./s1.
What are the key properties of (2R)-2-amino-N-(3,4-dimethylphenyl)-2-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride?
(2R)-2-amino-N-(3,4-dimethylphenyl)-2-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride has a molecular weight of 468.97 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3,4-dimethylphenyl)-2-thiophen-2-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride is sourced from PubChem (CID 68725094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).