N-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide

C15H24N2O4S — CID 23064668

IUPACN-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide
SMILESCCN(CC)C(C)NC(=O)c1cc(OC)ccc1S(C)(=O)=O
InChIInChI=1S/C15H24N2O4S/c1-6-17(7-2)11(3)16-15(18)13-10-12(21-4)8-9-14(13)22(5,19)20/h8-11H,6-7H2,1-5H3,(H,16,18)
InChIKeyKXPFBBVRJQQLGR-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.52
Rot. Bonds7

About N-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide

N-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide (PubChem CID 23064668) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide
PubChem CID23064668
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide
SMILESCCN(CC)C(C)NC(=O)c1cc(OC)ccc1S(C)(=O)=O
InChIInChI=1S/C15H24N2O4S/c1-6-17(7-2)11(3)16-15(18)13-10-12(21-4)8-9-14(13)22(5,19)20/h8-11H,6-7H2,1-5H3,(H,16,18)
InChIKeyKXPFBBVRJQQLGR-UHFFFAOYSA-N
XLogP1.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide?
The IUPAC name of N-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide (CID 23064668) is N-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide.
What is the SMILES notation for N-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide?
The canonical SMILES for N-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide is CCN(CC)C(C)NC(=O)c1cc(OC)ccc1S(C)(=O)=O.
What is the InChIKey of N-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide?
The InChIKey is KXPFBBVRJQQLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-6-17(7-2)11(3)16-15(18)13-10-12(21-4)8-9-14(13)22(5,19)20/h8-11H,6-7H2,1-5H3,(H,16,18).
What are the key properties of N-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide?
N-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide has a molecular weight of 328.43 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)ethyl]-5-methoxy-2-methylsulfonylbenzamide is sourced from PubChem (CID 23064668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).