(2R)-N-(4-fluorophenyl)-2-phenyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide

C25H21FN2OS — CID 9051153

IUPAC(2R)-N-(4-fluorophenyl)-2-phenyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
SMILESO=C(Nc1ccc(F)cc1)[C@H](N[C@@H](c1ccccc1)c1cccs1)c1ccccc1
InChIInChI=1S/C25H21FN2OS/c26-20-13-15-21(16-14-20)27-25(29)24(19-10-5-2-6-11-19)28-23(22-12-7-17-30-22)18-8-3-1-4-9-18/h1-17,23-24,28H,(H,27,29)/t23-,24+/m0/s1
InChIKeyBNLCPMPWXAQVHH-BJKOFHAPSA-N
MW416.52 g/mol
LogP5.95
Rot. Bonds7

About (2R)-N-(4-fluorophenyl)-2-phenyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide

(2R)-N-(4-fluorophenyl)-2-phenyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide (PubChem CID 9051153) has the molecular formula C25H21FN2OS and a molecular weight of 416.52 g/mol. Its IUPAC name is (2R)-N-(4-fluorophenyl)-2-phenyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound Name(2R)-N-(4-fluorophenyl)-2-phenyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
PubChem CID9051153
Molecular FormulaC25H21FN2OS
Molecular Weight416.52 g/mol
Exact Mass416.14
IUPAC Name(2R)-N-(4-fluorophenyl)-2-phenyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
SMILESO=C(Nc1ccc(F)cc1)[C@H](N[C@@H](c1ccccc1)c1cccs1)c1ccccc1
InChIInChI=1S/C25H21FN2OS/c26-20-13-15-21(16-14-20)27-25(29)24(19-10-5-2-6-11-19)28-23(22-12-7-17-30-22)18-8-3-1-4-9-18/h1-17,23-24,28H,(H,27,29)/t23-,24+/m0/s1
InChIKeyBNLCPMPWXAQVHH-BJKOFHAPSA-N
XLogP5.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
CID 8755424
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CID 9051615
2-(4-fluoroanilino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 46799428
(2R)-N-(4-chlorophenyl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanamide
CID 9051206
(2S)-2-anilino-N-(4-fluorophenyl)-2-phenylacetamide
CID 7830464
2-amino-N-(4-fluorophenyl)-2-thiophen-2-ylacetamide
CID 115285922
4-[[(2S)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propanoyl]amino]benzamide
CID 9051191
2-[[phenyl(thiophen-2-yl)methyl]amino]butanoic acid
CID 115352761
(E)-3-(4-fluorophenyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]prop-2-enamide
CID 8853725
1-(4-fluorophenyl)-3-[(4-methylphenyl)-thiophen-2-ylmethyl]urea
CID 17499433
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
(2S)-N-carbamoyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-2-phenylacetamide
CID 8769458

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-fluorophenyl)-2-phenyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide?
The IUPAC name of (2R)-N-(4-fluorophenyl)-2-phenyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide (CID 9051153) is (2R)-N-(4-fluorophenyl)-2-phenyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide.
What is the SMILES notation for (2R)-N-(4-fluorophenyl)-2-phenyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide?
The canonical SMILES for (2R)-N-(4-fluorophenyl)-2-phenyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide is O=C(Nc1ccc(F)cc1)[C@H](N[C@@H](c1ccccc1)c1cccs1)c1ccccc1.
What is the InChIKey of (2R)-N-(4-fluorophenyl)-2-phenyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide?
The InChIKey is BNLCPMPWXAQVHH-BJKOFHAPSA-N. The full InChI is InChI=1S/C25H21FN2OS/c26-20-13-15-21(16-14-20)27-25(29)24(19-10-5-2-6-11-19)28-23(22-12-7-17-30-22)18-8-3-1-4-9-18/h1-17,23-24,28H,(H,27,29)/t23-,24+/m0/s1.
What are the key properties of (2R)-N-(4-fluorophenyl)-2-phenyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide?
(2R)-N-(4-fluorophenyl)-2-phenyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide has a molecular weight of 416.52 g/mol, XLogP of 5.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-fluorophenyl)-2-phenyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 9051153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).