N-butyl-N-(2-hydroxyethyl)-2-(4-sulfanylphenyl)acetamide

C14H21NO2S — CID 107024746

IUPACN-butyl-N-(2-hydroxyethyl)-2-(4-sulfanylphenyl)acetamide
SMILESCCCCN(CCO)C(=O)Cc1ccc(S)cc1
InChIInChI=1S/C14H21NO2S/c1-2-3-8-15(9-10-16)14(17)11-12-4-6-13(18)7-5-12/h4-7,16,18H,2-3,8-11H2,1H3
InChIKeyGPAHPSKKGCZOND-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.14
Rot. Bonds7

About N-butyl-N-(2-hydroxyethyl)-2-(4-sulfanylphenyl)acetamide

N-butyl-N-(2-hydroxyethyl)-2-(4-sulfanylphenyl)acetamide (PubChem CID 107024746) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-2-(4-sulfanylphenyl)acetamide
PubChem CID107024746
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-butyl-N-(2-hydroxyethyl)-2-(4-sulfanylphenyl)acetamide
SMILESCCCCN(CCO)C(=O)Cc1ccc(S)cc1
InChIInChI=1S/C14H21NO2S/c1-2-3-8-15(9-10-16)14(17)11-12-4-6-13(18)7-5-12/h4-7,16,18H,2-3,8-11H2,1H3
InChIKeyGPAHPSKKGCZOND-UHFFFAOYSA-N
XLogP2.14
TPSA40.54 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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N,N-dibutylacetamide
CID 28982323
N-butyl-N-phenyl-2-(4-sulfanylphenyl)acetamide
CID 107030902
N-butyl-N-(2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide
CID 80741482
3-[butyl-[2-(4-fluorophenyl)acetyl]amino]propanoic acid
CID 82325163
2-(3-aminophenyl)-N-hexyl-N-(2-hydroxyethyl)acetamide
CID 62498199
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-(4-sulfanylphenyl)acetamide
CID 107024826
N-butyl-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78866721
2-(4-carbamothioylphenyl)-N,N-bis(2-hydroxyethyl)acetamide
CID 63591239
2-(3,4-dimethoxyphenyl)-N-(2-hydroxyethyl)-N-propylacetamide
CID 60655680
3-[pentyl-(2-phenylacetyl)amino]propanoic acid
CID 82325109
N,N-dibutyl-2-(2-hydroxyphenyl)acetamide
CID 78916820
N-butyl-2-[4-(difluoromethoxy)phenyl]-N-ethylacetamide
CID 86907972

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-2-(4-sulfanylphenyl)acetamide (CID 107024746) is N-butyl-N-(2-hydroxyethyl)-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-2-(4-sulfanylphenyl)acetamide is CCCCN(CCO)C(=O)Cc1ccc(S)cc1.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-2-(4-sulfanylphenyl)acetamide?
The InChIKey is GPAHPSKKGCZOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-2-3-8-15(9-10-16)14(17)11-12-4-6-13(18)7-5-12/h4-7,16,18H,2-3,8-11H2,1H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-2-(4-sulfanylphenyl)acetamide?
N-butyl-N-(2-hydroxyethyl)-2-(4-sulfanylphenyl)acetamide has a molecular weight of 267.39 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107024746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).