2-(4-hydroxybutan-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide

C15H23NO3S — CID 66138384

IUPAC2-(4-hydroxybutan-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CSC(C)CCO)cc1
InChIInChI=1S/C15H23NO3S/c1-12(8-10-17)20-11-15(18)16-9-7-13-3-5-14(19-2)6-4-13/h3-6,12,17H,7-11H2,1-2H3,(H,16,18)
InChIKeyKHXKKQCCCXZXQG-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.86
Rot. Bonds9

About 2-(4-hydroxybutan-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-(4-hydroxybutan-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 66138384) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(4-hydroxybutan-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-hydroxybutan-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID66138384
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2-(4-hydroxybutan-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CSC(C)CCO)cc1
InChIInChI=1S/C15H23NO3S/c1-12(8-10-17)20-11-15(18)16-9-7-13-3-5-14(19-2)6-4-13/h3-6,12,17H,7-11H2,1-2H3,(H,16,18)
InChIKeyKHXKKQCCCXZXQG-UHFFFAOYSA-N
XLogP1.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminobutylsulfanyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 66233283
2-(2,3-dihydroxypropylsulfanyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 79682657
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762
2-(3-amino-2-methylpropyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 66226351
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxohexanamide
CID 166676905
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
2-[(4-bromophenyl)methylsulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2971850
N-[2-(4-methoxyphenyl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
CID 112993636
N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenyl)propanamide
CID 66106188
3-(ethylamino)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 62838416
N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride
CID 119498019

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybutan-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-hydroxybutan-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 66138384) is 2-(4-hydroxybutan-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-hydroxybutan-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-hydroxybutan-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CSC(C)CCO)cc1.
What is the InChIKey of 2-(4-hydroxybutan-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is KHXKKQCCCXZXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-12(8-10-17)20-11-15(18)16-9-7-13-3-5-14(19-2)6-4-13/h3-6,12,17H,7-11H2,1-2H3,(H,16,18).
What are the key properties of 2-(4-hydroxybutan-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-(4-hydroxybutan-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 297.42 g/mol, XLogP of 1.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybutan-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 66138384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).