3-(benzenesulfonyl)-N-[2-(2-methoxyphenoxy)ethyl]propanamide

C18H21NO5S — CID 2525191

IUPAC3-(benzenesulfonyl)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
SMILESCOc1ccccc1OCCNC(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H21NO5S/c1-23-16-9-5-6-10-17(16)24-13-12-19-18(20)11-14-25(21,22)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,19,20)
InChIKeyDTCPKQVSUPBNFL-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.05
Rot. Bonds9

About 3-(benzenesulfonyl)-N-[2-(2-methoxyphenoxy)ethyl]propanamide

3-(benzenesulfonyl)-N-[2-(2-methoxyphenoxy)ethyl]propanamide (PubChem CID 2525191) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[2-(2-methoxyphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
PubChem CID2525191
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Name3-(benzenesulfonyl)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
SMILESCOc1ccccc1OCCNC(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H21NO5S/c1-23-16-9-5-6-10-17(16)24-13-12-19-18(20)11-14-25(21,22)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,19,20)
InChIKeyDTCPKQVSUPBNFL-UHFFFAOYSA-N
XLogP2.05
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(7-Benzenesulfonyl-2,3-dihydro-benzo[1,4]dioxin-2(R)-ylmethyl)-methyl-amine
CID 11652654
2-[4-[4-[2-oxo-2-(pentan-2-ylamino)ethoxy]phenyl]sulfonylphenoxy]-N-pentan-2-ylacetamide
CID 3359218
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(4-methylphenyl)sulfanylacetamide
CID 4791683
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 24979967
N-cyclohexyl-3-(4-methoxyphenyl)sulfonylpropanamide
CID 3240786
2-methyl-N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 53257306
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 25161616
2-phenoxy-N-[2-(phenylsulfanyl)ethyl]acetamide
CID 2899466
3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)propanamide
CID 24979551
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide
CID 24983143
1-[2-(Benzenesulfonyl)ethylamino]-3-phenoxypropan-2-ol
CID 12439373
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-phenylsulfanylpropanamide
CID 16304898

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[2-(2-methoxyphenoxy)ethyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[2-(2-methoxyphenoxy)ethyl]propanamide (CID 2525191) is 3-(benzenesulfonyl)-N-[2-(2-methoxyphenoxy)ethyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[2-(2-methoxyphenoxy)ethyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[2-(2-methoxyphenoxy)ethyl]propanamide is COc1ccccc1OCCNC(=O)CCS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[2-(2-methoxyphenoxy)ethyl]propanamide?
The InChIKey is DTCPKQVSUPBNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-23-16-9-5-6-10-17(16)24-13-12-19-18(20)11-14-25(21,22)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,19,20).
What are the key properties of 3-(benzenesulfonyl)-N-[2-(2-methoxyphenoxy)ethyl]propanamide?
3-(benzenesulfonyl)-N-[2-(2-methoxyphenoxy)ethyl]propanamide has a molecular weight of 363.44 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[2-(2-methoxyphenoxy)ethyl]propanamide is sourced from PubChem (CID 2525191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).