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

C25H26N2O2S — CID 8773922

IUPAC(2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)[C@H](N[C@@H]1CCSc2ccccc21)c1ccccc1
InChIInChI=1S/C25H26N2O2S/c1-2-29-22-14-8-7-13-21(22)27-25(28)24(18-10-4-3-5-11-18)26-20-16-17-30-23-15-9-6-12-19(20)23/h3-15,20,24,26H,2,16-17H2,1H3,(H,27,28)/t20-,24-/m1/s1
InChIKeyKNTOMQYNFFEEFI-HYBUGGRVSA-N
MW418.56 g/mol
LogP5.59
Rot. Bonds7

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

(2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide (PubChem CID 8773922) has the molecular formula C25H26N2O2S and a molecular weight of 418.56 g/mol. Its IUPAC name is (2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide
PubChem CID8773922
Molecular FormulaC25H26N2O2S
Molecular Weight418.56 g/mol
Exact Mass418.17
IUPAC Name(2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)[C@H](N[C@@H]1CCSc2ccccc21)c1ccccc1
InChIInChI=1S/C25H26N2O2S/c1-2-29-22-14-8-7-13-21(22)27-25(28)24(18-10-4-3-5-11-18)26-20-16-17-30-23-15-9-6-12-19(20)23/h3-15,20,24,26H,2,16-17H2,1H3,(H,27,28)/t20-,24-/m1/s1
InChIKeyKNTOMQYNFFEEFI-HYBUGGRVSA-N
XLogP5.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.56
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide with MolForge

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Related Compounds

(2S)-2-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 8773904
(2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 8773946
2-(cyclohexylmethylamino)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 3873364
[(1R)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 2468749
cycloheptyl-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]azanium
CID 8967736
(2S)-N-(2-ethoxyphenyl)-2-phenyl-2-(prop-2-ynylamino)acetamide
CID 9357615
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-propan-2-ylazanium
CID 2533842
(2R)-N-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 29440121
(2S)-2-amino-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 22691717
N-cyclopropyl-2-(2-ethoxyanilino)-2-phenylacetamide
CID 17489440
2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 112804467
N-(2-ethoxyphenyl)-2-(3-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 18083515

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide (CID 8773922) is (2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide is CCOc1ccccc1NC(=O)[C@H](N[C@@H]1CCSc2ccccc21)c1ccccc1.
What is the InChIKey of (2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide?
The InChIKey is KNTOMQYNFFEEFI-HYBUGGRVSA-N. The full InChI is InChI=1S/C25H26N2O2S/c1-2-29-22-14-8-7-13-21(22)27-25(28)24(18-10-4-3-5-11-18)26-20-16-17-30-23-15-9-6-12-19(20)23/h3-15,20,24,26H,2,16-17H2,1H3,(H,27,28)/t20-,24-/m1/s1.
What are the key properties of (2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide?
(2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide has a molecular weight of 418.56 g/mol, XLogP of 5.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 8773922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).