N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide

C13H16N2O3S2 — CID 53184966

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCCOc1ncccc1CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H16N2O3S2/c1-3-18-13-11(6-4-8-14-13)10-15(2)20(16,17)12-7-5-9-19-12/h4-9H,3,10H2,1-2H3
InChIKeyFTDAXKSKSWBUBJ-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.36
Rot. Bonds6

About N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide

N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide (PubChem CID 53184966) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide
PubChem CID53184966
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCCOc1ncccc1CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H16N2O3S2/c1-3-18-13-11(6-4-8-14-13)10-15(2)20(16,17)12-7-5-9-19-12/h4-9H,3,10H2,1-2H3
InChIKeyFTDAXKSKSWBUBJ-UHFFFAOYSA-N
XLogP2.36
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 2531281
N-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 47020933
N-ethyl-N-methylthiophene-2-sulfonamide;hydrochloride
CID 130616398
N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-sulfonamide
CID 52561453
ethyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 55028782
N-butyl-N-methylthiophene-2-sulfonamide
CID 4992196
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 47454541
N-[(3,5-dichloro-2-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide
CID 84596338
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 63939841
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
N-[(5-bromothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 9302453
N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 53277887

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide (CID 53184966) is N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide is CCOc1ncccc1CN(C)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is FTDAXKSKSWBUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-3-18-13-11(6-4-8-14-13)10-15(2)20(16,17)12-7-5-9-19-12/h4-9H,3,10H2,1-2H3.
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide?
N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 312.42 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 53184966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).