methyl 4-(2-pyridin-2-ylethylsulfonylamino)thiophene-3-carboxylate

C13H14N2O4S2 — CID 25046544

IUPACmethyl 4-(2-pyridin-2-ylethylsulfonylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1cscc1NS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C13H14N2O4S2/c1-19-13(16)11-8-20-9-12(11)15-21(17,18)7-5-10-4-2-3-6-14-10/h2-4,6,8-9,15H,5,7H2,1H3
InChIKeyNWNHUWXKSGIMLU-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.91
Rot. Bonds6

About methyl 4-(2-pyridin-2-ylethylsulfonylamino)thiophene-3-carboxylate

methyl 4-(2-pyridin-2-ylethylsulfonylamino)thiophene-3-carboxylate (PubChem CID 25046544) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is methyl 4-(2-pyridin-2-ylethylsulfonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-pyridin-2-ylethylsulfonylamino)thiophene-3-carboxylate
PubChem CID25046544
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Namemethyl 4-(2-pyridin-2-ylethylsulfonylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1cscc1NS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C13H14N2O4S2/c1-19-13(16)11-8-20-9-12(11)15-21(17,18)7-5-10-4-2-3-6-14-10/h2-4,6,8-9,15H,5,7H2,1H3
InChIKeyNWNHUWXKSGIMLU-UHFFFAOYSA-N
XLogP1.91
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminophenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864371
N-(5-chloro-2-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide
CID 25040971
N-(5-amino-2-methylphenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864543
1-O-methyl 2-O-(pyridin-2-ylmethyl) benzene-1,2-dicarboxylate
CID 56504965
N-(2,6-difluoro-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide
CID 103098114
methyl 2,3-difluoro-4-(2-pyridin-2-ylethylamino)benzoate
CID 79834307
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylethanesulfonamide
CID 64545476
ethyl 2-(2-pyridin-2-ylethylsulfonylamino)acetate
CID 60863124
3,3-dimethyl-2-(2-pyridin-2-ylethylsulfonylamino)butanoic acid
CID 60864746
2-(2-pyridin-2-ylethylsulfonylamino)pentanoic acid
CID 60865090
N-(5-bromo-2-chlorophenyl)-2-pyridin-2-ylethanesulfonamide
CID 62909121
2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide
CID 62945798

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-pyridin-2-ylethylsulfonylamino)thiophene-3-carboxylate?
The IUPAC name of methyl 4-(2-pyridin-2-ylethylsulfonylamino)thiophene-3-carboxylate (CID 25046544) is methyl 4-(2-pyridin-2-ylethylsulfonylamino)thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-(2-pyridin-2-ylethylsulfonylamino)thiophene-3-carboxylate?
The canonical SMILES for methyl 4-(2-pyridin-2-ylethylsulfonylamino)thiophene-3-carboxylate is COC(=O)c1cscc1NS(=O)(=O)CCc1ccccn1.
What is the InChIKey of methyl 4-(2-pyridin-2-ylethylsulfonylamino)thiophene-3-carboxylate?
The InChIKey is NWNHUWXKSGIMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-19-13(16)11-8-20-9-12(11)15-21(17,18)7-5-10-4-2-3-6-14-10/h2-4,6,8-9,15H,5,7H2,1H3.
What are the key properties of methyl 4-(2-pyridin-2-ylethylsulfonylamino)thiophene-3-carboxylate?
methyl 4-(2-pyridin-2-ylethylsulfonylamino)thiophene-3-carboxylate has a molecular weight of 326.40 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-pyridin-2-ylethylsulfonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 25046544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).