3-[1-[(4-ethoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide

C18H24N2O3S — CID 56824142

IUPAC3-[1-[(4-ethoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide
SMILESCCOc1ccc(CNC(C)c2cccc(S(=O)(=O)NC)c2)cc1
InChIInChI=1S/C18H24N2O3S/c1-4-23-17-10-8-15(9-11-17)13-20-14(2)16-6-5-7-18(12-16)24(21,22)19-3/h5-12,14,19-20H,4,13H2,1-3H3
InChIKeySMMORPMXILIQEG-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.84
Rot. Bonds8

About 3-[1-[(4-ethoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide

3-[1-[(4-ethoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide (PubChem CID 56824142) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 3-[1-[(4-ethoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[1-[(4-ethoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide
PubChem CID56824142
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name3-[1-[(4-ethoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide
SMILESCCOc1ccc(CNC(C)c2cccc(S(=O)(=O)NC)c2)cc1
InChIInChI=1S/C18H24N2O3S/c1-4-23-17-10-8-15(9-11-17)13-20-14(2)16-6-5-7-18(12-16)24(21,22)19-3/h5-12,14,19-20H,4,13H2,1-3H3
InChIKeySMMORPMXILIQEG-UHFFFAOYSA-N
XLogP2.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-ethoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[1-[(4-ethoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide (CID 56824142) is 3-[1-[(4-ethoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[1-[(4-ethoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[1-[(4-ethoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide is CCOc1ccc(CNC(C)c2cccc(S(=O)(=O)NC)c2)cc1.
What is the InChIKey of 3-[1-[(4-ethoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide?
The InChIKey is SMMORPMXILIQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-4-23-17-10-8-15(9-11-17)13-20-14(2)16-6-5-7-18(12-16)24(21,22)19-3/h5-12,14,19-20H,4,13H2,1-3H3.
What are the key properties of 3-[1-[(4-ethoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide?
3-[1-[(4-ethoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-ethoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 56824142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).