6-[(2-ethoxyphenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide

C18H24N2O3S2 — CID 40664186

IUPAC6-[(2-ethoxyphenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
SMILESCCOc1ccccc1CSc1ccc(S(=O)(=O)N(CC)CC)cn1
InChIInChI=1S/C18H24N2O3S2/c1-4-20(5-2)25(21,22)16-11-12-18(19-13-16)24-14-15-9-7-8-10-17(15)23-6-3/h7-13H,4-6,14H2,1-3H3
InChIKeyHZCGQQVYNMQREI-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.80
Rot. Bonds9

About 6-[(2-ethoxyphenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide

6-[(2-ethoxyphenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide (PubChem CID 40664186) has the molecular formula C18H24N2O3S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 6-[(2-ethoxyphenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(2-ethoxyphenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
PubChem CID40664186
Molecular FormulaC18H24N2O3S2
Molecular Weight380.54 g/mol
Exact Mass380.12
IUPAC Name6-[(2-ethoxyphenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
SMILESCCOc1ccccc1CSc1ccc(S(=O)(=O)N(CC)CC)cn1
InChIInChI=1S/C18H24N2O3S2/c1-4-20(5-2)25(21,22)16-11-12-18(19-13-16)24-14-15-9-7-8-10-17(15)23-6-3/h7-13H,4-6,14H2,1-3H3
InChIKeyHZCGQQVYNMQREI-UHFFFAOYSA-N
XLogP3.80
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2-chlorophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
CID 40663670
N,N-dimethyl-6-[(2-phenoxyphenyl)methylsulfanyl]pyridine-3-sulfonamide
CID 7759724
N,N-diethyl-6-[(4-methylphenyl)methylsulfanyl]pyridine-3-sulfonamide
CID 40664051
2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 24579788
N,N-diethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-sulfonamide
CID 40664198
6-[(4-cyanophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
CID 40663664
6-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]sulfanyl-N,N-diethylpyridine-3-sulfonamide
CID 55503258
6-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
CID 30028354
6-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
CID 46814882
N-carbamoyl-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
CID 30028161
5-(diethylsulfamoyl)-N-[(2-ethoxyphenyl)methyl]-2-methylbenzamide
CID 60565590
N,N-diethyl-6-(2-methoxyanilino)pyridine-3-sulfonamide
CID 5267780

Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethoxyphenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide?
The IUPAC name of 6-[(2-ethoxyphenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide (CID 40664186) is 6-[(2-ethoxyphenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[(2-ethoxyphenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[(2-ethoxyphenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide is CCOc1ccccc1CSc1ccc(S(=O)(=O)N(CC)CC)cn1.
What is the InChIKey of 6-[(2-ethoxyphenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide?
The InChIKey is HZCGQQVYNMQREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S2/c1-4-20(5-2)25(21,22)16-11-12-18(19-13-16)24-14-15-9-7-8-10-17(15)23-6-3/h7-13H,4-6,14H2,1-3H3.
What are the key properties of 6-[(2-ethoxyphenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide?
6-[(2-ethoxyphenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide has a molecular weight of 380.54 g/mol, XLogP of 3.80, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethoxyphenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide is sourced from PubChem (CID 40664186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).