5-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-2-sulfonamide

C13H16N2O3S2 — CID 87032101

IUPAC5-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2ccnc(OC)c2)s1
InChIInChI=1S/C13H16N2O3S2/c1-3-11-4-5-13(19-11)20(16,17)15-9-10-6-7-14-12(8-10)18-2/h4-8,15H,3,9H2,1-2H3
InChIKeyHQMWCXLBYDXSFA-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.19
Rot. Bonds6

About 5-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-2-sulfonamide

5-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-2-sulfonamide (PubChem CID 87032101) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-2-sulfonamide
PubChem CID87032101
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC Name5-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2ccnc(OC)c2)s1
InChIInChI=1S/C13H16N2O3S2/c1-3-11-4-5-13(19-11)20(16,17)15-9-10-6-7-14-12(8-10)18-2/h4-8,15H,3,9H2,1-2H3
InChIKeyHQMWCXLBYDXSFA-UHFFFAOYSA-N
XLogP2.19
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106062054
5-ethyl-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]thiophene-2-sulfonamide
CID 91630517
5-bromo-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]thiophene-2-sulfonamide
CID 55913944
2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide
CID 62991116
5-ethyl-N-(1H-pyrazol-4-ylmethyl)thiophene-2-sulfonamide
CID 54947112
N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106000806
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylbenzenesulfonamide
CID 55559063
N-[(2-methoxy-4-pyridinyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62990758
N-[(2-methoxy-4-pyridinyl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62989683
3-[[(5-ethylthiophen-2-yl)sulfonylamino]methyl]benzoic acid
CID 61454207
5-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylfuran-3-sulfonamide
CID 106062062
3-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylbenzenesulfonamide
CID 39630547

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-2-sulfonamide (CID 87032101) is 5-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCc2ccnc(OC)c2)s1.
What is the InChIKey of 5-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-2-sulfonamide?
The InChIKey is HQMWCXLBYDXSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-3-11-4-5-13(19-11)20(16,17)15-9-10-6-7-14-12(8-10)18-2/h4-8,15H,3,9H2,1-2H3.
What are the key properties of 5-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-2-sulfonamide?
5-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-2-sulfonamide has a molecular weight of 312.42 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 87032101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).