6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N,N-diethylpyridine-3-sulfonamide

C20H29N3O4S — CID 4885153

IUPAC6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N(C)CCc2ccc(OC)c(OC)c2)nc1
InChIInChI=1S/C20H29N3O4S/c1-6-23(7-2)28(24,25)17-9-11-20(21-15-17)22(3)13-12-16-8-10-18(26-4)19(14-16)27-5/h8-11,14-15H,6-7,12-13H2,1-5H3
InChIKeyFLEQDOYQJNQNEZ-UHFFFAOYSA-N
MW407.54 g/mol
LogP2.81
Rot. Bonds10

About 6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N,N-diethylpyridine-3-sulfonamide

6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N,N-diethylpyridine-3-sulfonamide (PubChem CID 4885153) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is 6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N,N-diethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N,N-diethylpyridine-3-sulfonamide
PubChem CID4885153
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC Name6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N(C)CCc2ccc(OC)c(OC)c2)nc1
InChIInChI=1S/C20H29N3O4S/c1-6-23(7-2)28(24,25)17-9-11-20(21-15-17)22(3)13-12-16-8-10-18(26-4)19(14-16)27-5/h8-11,14-15H,6-7,12-13H2,1-5H3
InChIKeyFLEQDOYQJNQNEZ-UHFFFAOYSA-N
XLogP2.81
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N,N-diethylpyridine-3-sulfonamide?
The IUPAC name of 6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N,N-diethylpyridine-3-sulfonamide (CID 4885153) is 6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N,N-diethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N,N-diethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N,N-diethylpyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(N(C)CCc2ccc(OC)c(OC)c2)nc1.
What is the InChIKey of 6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N,N-diethylpyridine-3-sulfonamide?
The InChIKey is FLEQDOYQJNQNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4S/c1-6-23(7-2)28(24,25)17-9-11-20(21-15-17)22(3)13-12-16-8-10-18(26-4)19(14-16)27-5/h8-11,14-15H,6-7,12-13H2,1-5H3.
What are the key properties of 6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N,N-diethylpyridine-3-sulfonamide?
6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N,N-diethylpyridine-3-sulfonamide has a molecular weight of 407.54 g/mol, XLogP of 2.81, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N,N-diethylpyridine-3-sulfonamide is sourced from PubChem (CID 4885153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).