N-[4-(cyclopropanecarbonyl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide

C15H21NO5S — CID 110612793

IUPACN-[4-(cyclopropanecarbonyl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)Nc1ccc(C(=O)C2CC2)cc1
InChIInChI=1S/C15H21NO5S/c1-20-8-9-21-10-11-22(18,19)16-14-6-4-13(5-7-14)15(17)12-2-3-12/h4-7,12,16H,2-3,8-11H2,1H3
InChIKeyUBCLHLIYZPNKSS-UHFFFAOYSA-N
MW327.40 g/mol
LogP1.68
Rot. Bonds10

About N-[4-(cyclopropanecarbonyl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide

N-[4-(cyclopropanecarbonyl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide (PubChem CID 110612793) has the molecular formula C15H21NO5S and a molecular weight of 327.40 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonyl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonyl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide
PubChem CID110612793
Molecular FormulaC15H21NO5S
Molecular Weight327.40 g/mol
Exact Mass327.11
IUPAC NameN-[4-(cyclopropanecarbonyl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)Nc1ccc(C(=O)C2CC2)cc1
InChIInChI=1S/C15H21NO5S/c1-20-8-9-21-10-11-22(18,19)16-14-6-4-13(5-7-14)15(17)12-2-3-12/h4-7,12,16H,2-3,8-11H2,1H3
InChIKeyUBCLHLIYZPNKSS-UHFFFAOYSA-N
XLogP1.68
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 51.68
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonyl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide?
The IUPAC name of N-[4-(cyclopropanecarbonyl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide (CID 110612793) is N-[4-(cyclopropanecarbonyl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonyl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide?
The canonical SMILES for N-[4-(cyclopropanecarbonyl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide is COCCOCCS(=O)(=O)Nc1ccc(C(=O)C2CC2)cc1.
What is the InChIKey of N-[4-(cyclopropanecarbonyl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide?
The InChIKey is UBCLHLIYZPNKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5S/c1-20-8-9-21-10-11-22(18,19)16-14-6-4-13(5-7-14)15(17)12-2-3-12/h4-7,12,16H,2-3,8-11H2,1H3.
What are the key properties of N-[4-(cyclopropanecarbonyl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide?
N-[4-(cyclopropanecarbonyl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide has a molecular weight of 327.40 g/mol, XLogP of 1.68, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonyl)phenyl]-2-(2-methoxyethoxy)ethanesulfonamide is sourced from PubChem (CID 110612793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).