2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

C19H15F3N2OS — CID 9050475

IUPAC2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CN[C@H](c1ccccc1)c1cccs1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H15F3N2OS/c20-13-8-9-14(18(22)17(13)21)24-16(25)11-23-19(15-7-4-10-26-15)12-5-2-1-3-6-12/h1-10,19,23H,11H2,(H,24,25)/t19-/m1/s1
InChIKeySBIVMFYGODUIBZ-LJQANCHMSA-N
MW376.40 g/mol
LogP4.48
Rot. Bonds6

About 2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 9050475) has the molecular formula C19H15F3N2OS and a molecular weight of 376.40 g/mol. Its IUPAC name is 2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID9050475
Molecular FormulaC19H15F3N2OS
Molecular Weight376.40 g/mol
Exact Mass376.09
IUPAC Name2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CN[C@H](c1ccccc1)c1cccs1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H15F3N2OS/c20-13-8-9-14(18(22)17(13)21)24-16(25)11-23-19(15-7-4-10-26-15)12-5-2-1-3-6-12/h1-10,19,23H,11H2,(H,24,25)/t19-/m1/s1
InChIKeySBIVMFYGODUIBZ-LJQANCHMSA-N
XLogP4.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8769028
2-[[(4-chlorophenyl)-phenylmethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 4858348
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
N-(2,4-difluorophenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051750
methyl 4,5-dimethyl-2-[[2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]thiophene-3-carboxylate
CID 9050682
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 9051553
N-(2,5-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051761
(2S)-2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 8769313
N-cyclopropyl-2-[[2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetyl]amino]benzamide
CID 41103017
N-(2-bromophenyl)-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051902
2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide
CID 8862800
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 41189251

Frequently Asked Questions

What is the IUPAC name of 2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 9050475) is 2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is O=C(CN[C@H](c1ccccc1)c1cccs1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is SBIVMFYGODUIBZ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H15F3N2OS/c20-13-8-9-14(18(22)17(13)21)24-16(25)11-23-19(15-7-4-10-26-15)12-5-2-1-3-6-12/h1-10,19,23H,11H2,(H,24,25)/t19-/m1/s1.
What are the key properties of 2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 376.40 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 9050475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).