(2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(4-fluorophenyl)-2-phenylacetamide

C23H21FN2OS — CID 8773946

IUPAC(2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(4-fluorophenyl)-2-phenylacetamide
SMILESO=C(Nc1ccc(F)cc1)[C@H](N[C@@H]1CCSc2ccccc21)c1ccccc1
InChIInChI=1S/C23H21FN2OS/c24-17-10-12-18(13-11-17)25-23(27)22(16-6-2-1-3-7-16)26-20-14-15-28-21-9-5-4-8-19(20)21/h1-13,20,22,26H,14-15H2,(H,25,27)/t20-,22-/m1/s1
InChIKeyNUSFXKPMBAUIKI-IFMALSPDSA-N
MW392.50 g/mol
LogP5.33
Rot. Bonds5

About (2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(4-fluorophenyl)-2-phenylacetamide

(2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(4-fluorophenyl)-2-phenylacetamide (PubChem CID 8773946) has the molecular formula C23H21FN2OS and a molecular weight of 392.50 g/mol. Its IUPAC name is (2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(4-fluorophenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(4-fluorophenyl)-2-phenylacetamide
PubChem CID8773946
Molecular FormulaC23H21FN2OS
Molecular Weight392.50 g/mol
Exact Mass392.14
IUPAC Name(2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(4-fluorophenyl)-2-phenylacetamide
SMILESO=C(Nc1ccc(F)cc1)[C@H](N[C@@H]1CCSc2ccccc21)c1ccccc1
InChIInChI=1S/C23H21FN2OS/c24-17-10-12-18(13-11-17)25-23(27)22(16-6-2-1-3-7-16)26-20-14-15-28-21-9-5-4-8-19(20)21/h1-13,20,22,26H,14-15H2,(H,25,27)/t20-,22-/m1/s1
InChIKeyNUSFXKPMBAUIKI-IFMALSPDSA-N
XLogP5.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 8773922
(2S)-2-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 8773904
(2S)-2-(cyclohexylamino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 40632646
(2R)-N-(4-methylphenyl)-2-phenyl-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 2560661
(2S)-N-(4-methylphenyl)-2-phenyl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 2560664
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)acetamide
CID 8933642
2-(4-fluoroanilino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 46799428
(E)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(4-fluorophenyl)prop-2-enamide
CID 7678621
(2S)-2-anilino-N-(4-fluorophenyl)-2-phenylacetamide
CID 7830464
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 2539824
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-(4-fluorophenyl)sulfanylacetamide
CID 18193181
(2R)-N-(3-chloro-4-methylphenyl)-2-phenyl-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 2442837

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(4-fluorophenyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(4-fluorophenyl)-2-phenylacetamide (CID 8773946) is (2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(4-fluorophenyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(4-fluorophenyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(4-fluorophenyl)-2-phenylacetamide is O=C(Nc1ccc(F)cc1)[C@H](N[C@@H]1CCSc2ccccc21)c1ccccc1.
What is the InChIKey of (2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(4-fluorophenyl)-2-phenylacetamide?
The InChIKey is NUSFXKPMBAUIKI-IFMALSPDSA-N. The full InChI is InChI=1S/C23H21FN2OS/c24-17-10-12-18(13-11-17)25-23(27)22(16-6-2-1-3-7-16)26-20-14-15-28-21-9-5-4-8-19(20)21/h1-13,20,22,26H,14-15H2,(H,25,27)/t20-,22-/m1/s1.
What are the key properties of (2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(4-fluorophenyl)-2-phenylacetamide?
(2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(4-fluorophenyl)-2-phenylacetamide has a molecular weight of 392.50 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(4-fluorophenyl)-2-phenylacetamide is sourced from PubChem (CID 8773946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).