2-(benzenesulfonyl)-N-(2-butoxyethyl)acetamide

C14H21NO4S — CID 87023768

IUPAC2-(benzenesulfonyl)-N-(2-butoxyethyl)acetamide
SMILESCCCCOCCNC(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H21NO4S/c1-2-3-10-19-11-9-15-14(16)12-20(17,18)13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H,15,16)
InChIKeyLWUSPVDCVXWMBC-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.39
Rot. Bonds9

About 2-(benzenesulfonyl)-N-(2-butoxyethyl)acetamide

2-(benzenesulfonyl)-N-(2-butoxyethyl)acetamide (PubChem CID 87023768) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(2-butoxyethyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(2-butoxyethyl)acetamide
PubChem CID87023768
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name2-(benzenesulfonyl)-N-(2-butoxyethyl)acetamide
SMILESCCCCOCCNC(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H21NO4S/c1-2-3-10-19-11-9-15-14(16)12-20(17,18)13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H,15,16)
InChIKeyLWUSPVDCVXWMBC-UHFFFAOYSA-N
XLogP1.39
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butoxypropyl)-2-(4-methylphenyl)sulfonylacetamide
CID 17309477
2-(benzenesulfonyl)-N-propylacetamide
CID 4683894
2-(benzenesulfonyl)-N-(2-methoxyethyl)acetamide
CID 4669568
N-(2-butoxyethyl)-2-(1-phenylimidazol-2-yl)sulfonylacetamide
CID 47075882
3-(benzenesulfonyl)-N-[2-[2-(diethylamino)ethoxy]ethyl]propanamide
CID 110618471
methyl 2-[[2-(benzenesulfonyl)acetyl]amino]acetate
CID 17257191
N-[2-(2-butoxyethoxy)ethyl]propanamide
CID 153105198
2-(4-methylphenyl)sulfonyl-N-propylacetamide
CID 3481576
4-(2-butoxyethylsulfonyl)benzoic acid
CID 61483292
2-(benzenesulfonyl)-N-hydroxyacetamide
CID 91245592
2-(4-chlorophenyl)sulfonyl-N-propylacetamide
CID 24654499
N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 2765509

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(2-butoxyethyl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(2-butoxyethyl)acetamide (CID 87023768) is 2-(benzenesulfonyl)-N-(2-butoxyethyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(2-butoxyethyl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(2-butoxyethyl)acetamide is CCCCOCCNC(=O)CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-(2-butoxyethyl)acetamide?
The InChIKey is LWUSPVDCVXWMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-2-3-10-19-11-9-15-14(16)12-20(17,18)13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H,15,16).
What are the key properties of 2-(benzenesulfonyl)-N-(2-butoxyethyl)acetamide?
2-(benzenesulfonyl)-N-(2-butoxyethyl)acetamide has a molecular weight of 299.39 g/mol, XLogP of 1.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(2-butoxyethyl)acetamide is sourced from PubChem (CID 87023768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).