N-(4-ethylsulfanylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide

C14H21NO2S — CID 115665163

IUPACN-(4-ethylsulfanylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide
SMILESCCSCCC(C)NC(=O)Cc1ccccc1O
InChIInChI=1S/C14H21NO2S/c1-3-18-9-8-11(2)15-14(17)10-12-6-4-5-7-13(12)16/h4-7,11,16H,3,8-10H2,1-2H3,(H,15,17)
InChIKeyDHVLDEODKUJKBO-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.58
Rot. Bonds7

About N-(4-ethylsulfanylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide

N-(4-ethylsulfanylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide (PubChem CID 115665163) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide
PubChem CID115665163
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide
SMILESCCSCCC(C)NC(=O)Cc1ccccc1O
InChIInChI=1S/C14H21NO2S/c1-3-18-9-8-11(2)15-14(17)10-12-6-4-5-7-13(12)16/h4-7,11,16H,3,8-10H2,1-2H3,(H,15,17)
InChIKeyDHVLDEODKUJKBO-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxyphenyl)-N-pent-4-yn-2-ylacetamide
CID 115665144
2-(2-hydroxyphenyl)-N-propan-2-ylacetamide
CID 78990911
N-(4-ethylsulfanylbutan-2-yl)-2-methylpropanamide
CID 115662209
N-(1-ethoxypropan-2-yl)-2-(2-hydroxyphenyl)acetamide
CID 78916993
N-[5-(diethylamino)pentan-2-yl]-2-(2-hydroxyphenyl)acetamide
CID 78916581
3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-phenylpropanamide
CID 115748796
N-(4-ethylsulfanylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 115662191
2-amino-N-(4-ethylsulfanylbutan-2-yl)acetamide
CID 115734463
2-[2-(4-ethylsulfanylbutan-2-ylamino)-2-oxoethyl]sulfanylacetic acid
CID 104588503
2-[[2-(2-hydroxyphenyl)acetyl]amino]pentanoic acid
CID 80740485
2-amino-N-(4-ethylsulfanylbutan-2-yl)benzamide
CID 115747545
N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide
CID 94102090

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide (CID 115665163) is N-(4-ethylsulfanylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide is CCSCCC(C)NC(=O)Cc1ccccc1O.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide?
The InChIKey is DHVLDEODKUJKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-18-9-8-11(2)15-14(17)10-12-6-4-5-7-13(12)16/h4-7,11,16H,3,8-10H2,1-2H3,(H,15,17).
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide?
N-(4-ethylsulfanylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide has a molecular weight of 267.39 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 115665163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).