2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide

C18H21NO3S — CID 55376080

IUPAC2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide
SMILESCCOc1ccc(SCC(=O)NCC(O)c2ccccc2)cc1
InChIInChI=1S/C18H21NO3S/c1-2-22-15-8-10-16(11-9-15)23-13-18(21)19-12-17(20)14-6-4-3-5-7-14/h3-11,17,20H,2,12-13H2,1H3,(H,19,21)
InChIKeyVXZNUQDUIPOVFR-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.03
Rot. Bonds8

About 2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide

2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide (PubChem CID 55376080) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide
PubChem CID55376080
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide
SMILESCCOc1ccc(SCC(=O)NCC(O)c2ccccc2)cc1
InChIInChI=1S/C18H21NO3S/c1-2-22-15-8-10-16(11-9-15)23-13-18(21)19-12-17(20)14-6-4-3-5-7-14/h3-11,17,20H,2,12-13H2,1H3,(H,19,21)
InChIKeyVXZNUQDUIPOVFR-UHFFFAOYSA-N
XLogP3.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 85007833
3-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]-2-methylpropanoic acid
CID 62674964
N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-ethoxyphenyl)sulfanylacetamide
CID 63298611
2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide
CID 60651157
(2S)-4-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]-2-hydroxybutanoic acid
CID 107834893
1-(4-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]urea
CID 95157706
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenylsulfanylacetamide
CID 124506824
2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 78687555
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 28954114
2-(4-ethoxyphenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 32603483
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 55462976
N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide
CID 83029625

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide (CID 55376080) is 2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide is CCOc1ccc(SCC(=O)NCC(O)c2ccccc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide?
The InChIKey is VXZNUQDUIPOVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-2-22-15-8-10-16(11-9-15)23-13-18(21)19-12-17(20)14-6-4-3-5-7-14/h3-11,17,20H,2,12-13H2,1H3,(H,19,21).
What are the key properties of 2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide?
2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide has a molecular weight of 331.44 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide is sourced from PubChem (CID 55376080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).