N-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxamide

C11H11N3O3S2 — CID 140674283

IUPACN-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxamide
SMILESO=C(NCNS(=O)(=O)c1cccs1)c1ccccn1
InChIInChI=1S/C11H11N3O3S2/c15-11(9-4-1-2-6-12-9)13-8-14-19(16,17)10-5-3-7-18-10/h1-7,14H,8H2,(H,13,15)
InChIKeyQPOHNLFDTVAIER-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.81
Rot. Bonds5

About N-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxamide

N-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxamide (PubChem CID 140674283) has the molecular formula C11H11N3O3S2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxamide
PubChem CID140674283
Molecular FormulaC11H11N3O3S2
Molecular Weight297.36 g/mol
Exact Mass297.02
IUPAC NameN-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxamide
SMILESO=C(NCNS(=O)(=O)c1cccs1)c1ccccn1
InChIInChI=1S/C11H11N3O3S2/c15-11(9-4-1-2-6-12-9)13-8-14-19(16,17)10-5-3-7-18-10/h1-7,14H,8H2,(H,13,15)
InChIKeyQPOHNLFDTVAIER-UHFFFAOYSA-N
XLogP0.81
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]pyridine-2-carboxamide
CID 9184177
N-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide
CID 108542652
N-(pyridin-4-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 112993206
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 22583185
2-(pyridine-2-carbonylamino)acetic acid;thiophene
CID 66951625
N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyridine-2-carboxamide
CID 47135355
N-[2-(ethylamino)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 119507324
N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 31972396
N-methylsulfonylpyridine-2-carboxamide
CID 14952705
N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 114616390
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(thiophen-2-ylsulfonylamino)acetate
CID 43065293
5-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid
CID 81100168

Frequently Asked Questions

What is the IUPAC name of N-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxamide (CID 140674283) is N-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxamide is O=C(NCNS(=O)(=O)c1cccs1)c1ccccn1.
What is the InChIKey of N-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxamide?
The InChIKey is QPOHNLFDTVAIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S2/c15-11(9-4-1-2-6-12-9)13-8-14-19(16,17)10-5-3-7-18-10/h1-7,14H,8H2,(H,13,15).
What are the key properties of N-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxamide?
N-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 140674283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).