(2R)-N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)sulfanyl-2-phenylacetamide

C23H23NO3S — CID 8907250

IUPAC(2R)-N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)sulfanyl-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)[C@H](Sc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C23H23NO3S/c1-3-27-21-12-8-7-11-20(21)24-23(25)22(17-9-5-4-6-10-17)28-19-15-13-18(26-2)14-16-19/h4-16,22H,3H2,1-2H3,(H,24,25)/t22-/m1/s1
InChIKeyDTRDUKABWOPPRX-JOCHJYFZSA-N
MW393.51 g/mol
LogP5.57
Rot. Bonds8

About (2R)-N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)sulfanyl-2-phenylacetamide

(2R)-N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)sulfanyl-2-phenylacetamide (PubChem CID 8907250) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is (2R)-N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)sulfanyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)sulfanyl-2-phenylacetamide
PubChem CID8907250
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC Name(2R)-N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)sulfanyl-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)[C@H](Sc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C23H23NO3S/c1-3-27-21-12-8-7-11-20(21)24-23(25)22(17-9-5-4-6-10-17)28-19-15-13-18(26-2)14-16-19/h4-16,22H,3H2,1-2H3,(H,24,25)/t22-/m1/s1
InChIKeyDTRDUKABWOPPRX-JOCHJYFZSA-N
XLogP5.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-2-phenylacetamide
CID 7228798
N-(2-ethoxyphenyl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide
CID 23101245
N-[4-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 23095714
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 21167349
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16572356
methyl 2-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylacetate
CID 18078996
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-methoxybenzoate
CID 7506876
2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]sulfanyl-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 19059621
N-[4-[2-(2-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide
CID 22780109
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16539544
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16539497
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 7464564

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)sulfanyl-2-phenylacetamide?
The IUPAC name of (2R)-N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)sulfanyl-2-phenylacetamide (CID 8907250) is (2R)-N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)sulfanyl-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)sulfanyl-2-phenylacetamide?
The canonical SMILES for (2R)-N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)sulfanyl-2-phenylacetamide is CCOc1ccccc1NC(=O)[C@H](Sc1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of (2R)-N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)sulfanyl-2-phenylacetamide?
The InChIKey is DTRDUKABWOPPRX-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-3-27-21-12-8-7-11-20(21)24-23(25)22(17-9-5-4-6-10-17)28-19-15-13-18(26-2)14-16-19/h4-16,22H,3H2,1-2H3,(H,24,25)/t22-/m1/s1.
What are the key properties of (2R)-N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)sulfanyl-2-phenylacetamide?
(2R)-N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)sulfanyl-2-phenylacetamide has a molecular weight of 393.51 g/mol, XLogP of 5.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)sulfanyl-2-phenylacetamide is sourced from PubChem (CID 8907250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).