3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide

C16H24N2O5S — CID 18160207

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C16H24N2O5S/c1-2-22-13-5-7-15(8-6-13)24(20,21)18-10-9-16(19)17-12-14-4-3-11-23-14/h5-8,14,18H,2-4,9-12H2,1H3,(H,17,19)
InChIKeyLSIIYFPTZFLOGE-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.05
Rot. Bonds9

About 3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide

3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 18160207) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID18160207
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C16H24N2O5S/c1-2-22-13-5-7-15(8-6-13)24(20,21)18-10-9-16(19)17-12-14-4-3-11-23-14/h5-8,14,18H,2-4,9-12H2,1H3,(H,17,19)
InChIKeyLSIIYFPTZFLOGE-UHFFFAOYSA-N
XLogP1.05
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide (CID 18160207) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)NCC2CCCO2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is LSIIYFPTZFLOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-2-22-13-5-7-15(8-6-13)24(20,21)18-10-9-16(19)17-12-14-4-3-11-23-14/h5-8,14,18H,2-4,9-12H2,1H3,(H,17,19).
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 356.44 g/mol, XLogP of 1.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 18160207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).