N-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide

C19H23NO4S — CID 97260253

IUPACN-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide
SMILESCOc1ccc([C@@H](CO)N(C)C(=O)CSc2cccc(OC)c2)cc1
InChIInChI=1S/C19H23NO4S/c1-20(18(12-21)14-7-9-15(23-2)10-8-14)19(22)13-25-17-6-4-5-16(11-17)24-3/h4-11,18,21H,12-13H2,1-3H3/t18-/m1/s1
InChIKeyCAEKLCVTACFOTC-GOSISDBHSA-N
MW361.46 g/mol
LogP2.99
Rot. Bonds8

About N-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide

N-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide (PubChem CID 97260253) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide
PubChem CID97260253
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC NameN-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide
SMILESCOc1ccc([C@@H](CO)N(C)C(=O)CSc2cccc(OC)c2)cc1
InChIInChI=1S/C19H23NO4S/c1-20(18(12-21)14-7-9-15(23-2)10-8-14)19(22)13-25-17-6-4-5-16(11-17)24-3/h4-11,18,21H,12-13H2,1-3H3/t18-/m1/s1
InChIKeyCAEKLCVTACFOTC-GOSISDBHSA-N
XLogP2.99
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-methoxynaphthalen-2-yl)methyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide
CID 35041609
N-(3-amino-2,2-dimethylpropyl)-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide;hydrochloride
CID 119656300
ethyl 2-(4-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropanoate
CID 22123590
2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide
CID 119503641
N-(3-methoxyphenyl)-2-[[2-(3-methoxyphenyl)sulfanylacetyl]-methylamino]acetamide
CID 35041592
2-(3-methoxyphenyl)sulfanyl-N-(2-methylphenyl)-N-propan-2-ylacetamide
CID 86893364
2-(3-methoxyphenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide
CID 119444007
N-(4-methoxyphenyl)-2-(3-methoxyphenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 35041458
(2R)-2-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-3-methylbutanoic acid
CID 92924453
2-(3-methoxyphenyl)sulfanyl-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 90651685
2-(3-methoxyphenyl)sulfanylethanol
CID 2759720
3-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 35042935

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide (CID 97260253) is N-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide is COc1ccc([C@@H](CO)N(C)C(=O)CSc2cccc(OC)c2)cc1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide?
The InChIKey is CAEKLCVTACFOTC-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-20(18(12-21)14-7-9-15(23-2)10-8-14)19(22)13-25-17-6-4-5-16(11-17)24-3/h4-11,18,21H,12-13H2,1-3H3/t18-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide?
N-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide has a molecular weight of 361.46 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide is sourced from PubChem (CID 97260253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).