N-[5-[benzyl(ethyl)amino]-2-pyridinyl]thiophene-2-sulfonamide

C18H19N3O2S2 — CID 113027614

IUPACN-[5-[benzyl(ethyl)amino]-2-pyridinyl]thiophene-2-sulfonamide
SMILESCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2cccs2)nc1
InChIInChI=1S/C18H19N3O2S2/c1-2-21(14-15-7-4-3-5-8-15)16-10-11-17(19-13-16)20-25(22,23)18-9-6-12-24-18/h3-13H,2,14H2,1H3,(H,19,20)
InChIKeyQNHSJTADJHYUBU-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.97
Rot. Bonds7

About N-[5-[benzyl(ethyl)amino]-2-pyridinyl]thiophene-2-sulfonamide

N-[5-[benzyl(ethyl)amino]-2-pyridinyl]thiophene-2-sulfonamide (PubChem CID 113027614) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[5-[benzyl(ethyl)amino]-2-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-[benzyl(ethyl)amino]-2-pyridinyl]thiophene-2-sulfonamide
PubChem CID113027614
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC NameN-[5-[benzyl(ethyl)amino]-2-pyridinyl]thiophene-2-sulfonamide
SMILESCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2cccs2)nc1
InChIInChI=1S/C18H19N3O2S2/c1-2-21(14-15-7-4-3-5-8-15)16-10-11-17(19-13-16)20-25(22,23)18-9-6-12-24-18/h3-13H,2,14H2,1H3,(H,19,20)
InChIKeyQNHSJTADJHYUBU-UHFFFAOYSA-N
XLogP3.97
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[benzyl(ethyl)amino]-2-(dimethylsulfamoylamino)pyridine
CID 113027603
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]thiophene-2-sulfonamide
CID 113012641
N-[5-(diethylamino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113029780
N-[4-[benzyl(methyl)amino]phenyl]thiophene-2-sulfonamide
CID 112982346
N-(5-bromo-2-pyridinyl)thiophene-2-sulfonamide
CID 778331
N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113025588
4-[benzyl(ethyl)amino]-3-(thiophen-2-ylsulfonylamino)benzoic acid;2,2,2-trifluoroacetic acid
CID 146055811
N-[5-[benzyl(methyl)amino]-2-pyridinyl]ethanesulfonamide
CID 113026944
N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113027468
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113027386
N-[5-(diethylamino)-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113029747
N-[6-(methylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 115268517

Frequently Asked Questions

What is the IUPAC name of N-[5-[benzyl(ethyl)amino]-2-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of N-[5-[benzyl(ethyl)amino]-2-pyridinyl]thiophene-2-sulfonamide (CID 113027614) is N-[5-[benzyl(ethyl)amino]-2-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[5-[benzyl(ethyl)amino]-2-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[5-[benzyl(ethyl)amino]-2-pyridinyl]thiophene-2-sulfonamide is CCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2cccs2)nc1.
What is the InChIKey of N-[5-[benzyl(ethyl)amino]-2-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is QNHSJTADJHYUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-2-21(14-15-7-4-3-5-8-15)16-10-11-17(19-13-16)20-25(22,23)18-9-6-12-24-18/h3-13H,2,14H2,1H3,(H,19,20).
What are the key properties of N-[5-[benzyl(ethyl)amino]-2-pyridinyl]thiophene-2-sulfonamide?
N-[5-[benzyl(ethyl)amino]-2-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 373.50 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[benzyl(ethyl)amino]-2-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113027614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).