3-(benzenesulfonyl)-N-[2-[2-(diethylamino)ethoxy]ethyl]propanamide

C17H28N2O4S — CID 110618471

IUPAC3-(benzenesulfonyl)-N-[2-[2-(diethylamino)ethoxy]ethyl]propanamide
SMILESCCN(CC)CCOCCNC(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H28N2O4S/c1-3-19(4-2)12-14-23-13-11-18-17(20)10-15-24(21,22)16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3,(H,18,20)
InChIKeySYNNVVLVMJQVPM-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.33
Rot. Bonds12

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

3-(benzenesulfonyl)-N-[2-[2-(diethylamino)ethoxy]ethyl]propanamide (PubChem CID 110618471) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[2-[2-(diethylamino)ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[2-[2-(diethylamino)ethoxy]ethyl]propanamide
PubChem CID110618471
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC Name3-(benzenesulfonyl)-N-[2-[2-(diethylamino)ethoxy]ethyl]propanamide
SMILESCCN(CC)CCOCCNC(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H28N2O4S/c1-3-19(4-2)12-14-23-13-11-18-17(20)10-15-24(21,22)16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3,(H,18,20)
InChIKeySYNNVVLVMJQVPM-UHFFFAOYSA-N
XLogP1.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.33
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

3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]propanamide;hydrochloride
CID 90483049
3-(benzenesulfonyl)-N-[3-(diethylamino)propyl]propanamide;hydrochloride
CID 90483046
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-methylsulfonylpropanamide
CID 110612720
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenoxypropanamide
CID 110425077
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-methyl-4-phenylpentanamide
CID 110425742
methyl 3-[3-(benzenesulfonyl)propanoylamino]propanoate
CID 60628934
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-morpholin-4-ylsulfonylpropanamide
CID 110618498
1-[2-[2-(diethylamino)ethoxy]ethyl]-3-phenylurea
CID 110425086
N-[2-[2-(diethylamino)ethoxy]ethyl]-3-(4-methylphenyl)propanamide
CID 110618477
2-(benzenesulfonyl)-N-(2-butoxyethyl)acetamide
CID 87023768
3-(benzenesulfonyl)-N-(3-hydroxypentyl)propanamide
CID 115703740
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-pyridin-3-ylbutanamide
CID 110612739

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[2-[2-(diethylamino)ethoxy]ethyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[2-[2-(diethylamino)ethoxy]ethyl]propanamide (CID 110618471) is 3-(benzenesulfonyl)-N-[2-[2-(diethylamino)ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[2-[2-(diethylamino)ethoxy]ethyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[2-[2-(diethylamino)ethoxy]ethyl]propanamide is CCN(CC)CCOCCNC(=O)CCS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[2-[2-(diethylamino)ethoxy]ethyl]propanamide?
The InChIKey is SYNNVVLVMJQVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-3-19(4-2)12-14-23-13-11-18-17(20)10-15-24(21,22)16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3,(H,18,20).
What are the key properties of 3-(benzenesulfonyl)-N-[2-[2-(diethylamino)ethoxy]ethyl]propanamide?
3-(benzenesulfonyl)-N-[2-[2-(diethylamino)ethoxy]ethyl]propanamide has a molecular weight of 356.49 g/mol, XLogP of 1.33, 12 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-(diethylamino)ethoxy]ethyl]propanamide is sourced from PubChem (CID 110618471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).