N-[2-(benzenesulfonyl)ethyl]-4-butoxybenzamide

C19H23NO4S — CID 55735839

IUPACN-[2-(benzenesulfonyl)ethyl]-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCCS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H23NO4S/c1-2-3-14-24-17-11-9-16(10-12-17)19(21)20-13-15-25(22,23)18-7-5-4-6-8-18/h4-12H,2-3,13-15H2,1H3,(H,20,21)
InChIKeyPZZDPWMMRFNDDS-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.07
Rot. Bonds9

About N-[2-(benzenesulfonyl)ethyl]-4-butoxybenzamide

N-[2-(benzenesulfonyl)ethyl]-4-butoxybenzamide (PubChem CID 55735839) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)ethyl]-4-butoxybenzamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)ethyl]-4-butoxybenzamide
PubChem CID55735839
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC NameN-[2-(benzenesulfonyl)ethyl]-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCCS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H23NO4S/c1-2-3-14-24-17-11-9-16(10-12-17)19(21)20-13-15-25(22,23)18-7-5-4-6-8-18/h4-12H,2-3,13-15H2,1H3,(H,20,21)
InChIKeyPZZDPWMMRFNDDS-UHFFFAOYSA-N
XLogP3.07
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.07
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-butyl-4-propoxybenzamide
CID 17142951
4-butoxy-N-hexadecylbenzamide
CID 4936106
4-[2-(benzenesulfonyl)ethoxy]benzoic acid
CID 43532538
N-[2-(benzenesulfonyl)ethyl]-4-(phenylcarbamoylamino)benzamide
CID 55734276
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-4-butoxybenzamide
CID 27510251
4-butoxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 60654687
4-butoxy-N-[(2S)-2-phenylpropyl]benzamide
CID 2265354
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
N'-(4-butoxybenzoyl)-4-phenylbenzohydrazide
CID 3096307
4-butoxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263738
benzhydryl 2-[(4-butoxybenzoyl)amino]acetate
CID 7905876
N-[4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide
CID 29264757

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)ethyl]-4-butoxybenzamide?
The IUPAC name of N-[2-(benzenesulfonyl)ethyl]-4-butoxybenzamide (CID 55735839) is N-[2-(benzenesulfonyl)ethyl]-4-butoxybenzamide.
What is the SMILES notation for N-[2-(benzenesulfonyl)ethyl]-4-butoxybenzamide?
The canonical SMILES for N-[2-(benzenesulfonyl)ethyl]-4-butoxybenzamide is CCCCOc1ccc(C(=O)NCCS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-(benzenesulfonyl)ethyl]-4-butoxybenzamide?
The InChIKey is PZZDPWMMRFNDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-2-3-14-24-17-11-9-16(10-12-17)19(21)20-13-15-25(22,23)18-7-5-4-6-8-18/h4-12H,2-3,13-15H2,1H3,(H,20,21).
What are the key properties of N-[2-(benzenesulfonyl)ethyl]-4-butoxybenzamide?
N-[2-(benzenesulfonyl)ethyl]-4-butoxybenzamide has a molecular weight of 361.46 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)ethyl]-4-butoxybenzamide is sourced from PubChem (CID 55735839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).