N-[6-[benzyl(ethyl)amino]-3-pyridinyl]thiophene-2-sulfonamide

C18H19N3O2S2 — CID 113012641

IUPACN-[6-[benzyl(ethyl)amino]-3-pyridinyl]thiophene-2-sulfonamide
SMILESCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2cccs2)cn1
InChIInChI=1S/C18H19N3O2S2/c1-2-21(14-15-7-4-3-5-8-15)17-11-10-16(13-19-17)20-25(22,23)18-9-6-12-24-18/h3-13,20H,2,14H2,1H3
InChIKeyJXUGGZKSQXVDAX-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.97
Rot. Bonds7

About N-[6-[benzyl(ethyl)amino]-3-pyridinyl]thiophene-2-sulfonamide

N-[6-[benzyl(ethyl)amino]-3-pyridinyl]thiophene-2-sulfonamide (PubChem CID 113012641) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[6-[benzyl(ethyl)amino]-3-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[6-[benzyl(ethyl)amino]-3-pyridinyl]thiophene-2-sulfonamide
PubChem CID113012641
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC NameN-[6-[benzyl(ethyl)amino]-3-pyridinyl]thiophene-2-sulfonamide
SMILESCCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2cccs2)cn1
InChIInChI=1S/C18H19N3O2S2/c1-2-21(14-15-7-4-3-5-8-15)17-11-10-16(13-19-17)20-25(22,23)18-9-6-12-24-18/h3-13,20H,2,14H2,1H3
InChIKeyJXUGGZKSQXVDAX-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

N-[5-[benzyl(ethyl)amino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113027614
N-[4-[benzyl(methyl)amino]phenyl]thiophene-2-sulfonamide
CID 112982346
N-[6-(methylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 115268517
2-amino-N-[6-[benzyl(ethyl)amino]-3-pyridinyl]acetamide
CID 39181885
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-methylpropanamide
CID 113012566
N-benzyl-N-butan-2-yl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 56536537
N-[4-(3-phenylpropylamino)phenyl]thiophene-2-sulfonamide
CID 112984772
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113012596
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]thiophene-2-sulfonamide
CID 46270820
4-[benzyl(ethyl)amino]-3-(thiophen-2-ylsulfonylamino)benzoic acid;2,2,2-trifluoroacetic acid
CID 146055811
N-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78847492
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3,5-dimethoxybenzamide
CID 113012586

Frequently Asked Questions

What is the IUPAC name of N-[6-[benzyl(ethyl)amino]-3-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of N-[6-[benzyl(ethyl)amino]-3-pyridinyl]thiophene-2-sulfonamide (CID 113012641) is N-[6-[benzyl(ethyl)amino]-3-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[6-[benzyl(ethyl)amino]-3-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[6-[benzyl(ethyl)amino]-3-pyridinyl]thiophene-2-sulfonamide is CCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2cccs2)cn1.
What is the InChIKey of N-[6-[benzyl(ethyl)amino]-3-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is JXUGGZKSQXVDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-2-21(14-15-7-4-3-5-8-15)17-11-10-16(13-19-17)20-25(22,23)18-9-6-12-24-18/h3-13,20H,2,14H2,1H3.
What are the key properties of N-[6-[benzyl(ethyl)amino]-3-pyridinyl]thiophene-2-sulfonamide?
N-[6-[benzyl(ethyl)amino]-3-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-[6-[benzyl(ethyl)amino]-3-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113012641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).