N-(pyridin-4-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide

C12H13N3O3S2 — CID 112993206

IUPACN-(pyridin-4-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESO=C(CNS(=O)(=O)c1cccs1)NCc1ccncc1
InChIInChI=1S/C12H13N3O3S2/c16-11(14-8-10-3-5-13-6-4-10)9-15-20(17,18)12-2-1-7-19-12/h1-7,15H,8-9H2,(H,14,16)
InChIKeyUPJHSNUBGHOHTH-UHFFFAOYSA-N
MW311.39 g/mol
LogP0.74
Rot. Bonds6

About N-(pyridin-4-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide

N-(pyridin-4-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide (PubChem CID 112993206) has the molecular formula C12H13N3O3S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
PubChem CID112993206
Molecular FormulaC12H13N3O3S2
Molecular Weight311.39 g/mol
Exact Mass311.04
IUPAC NameN-(pyridin-4-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESO=C(CNS(=O)(=O)c1cccs1)NCc1ccncc1
InChIInChI=1S/C12H13N3O3S2/c16-11(14-8-10-3-5-13-6-4-10)9-15-20(17,18)12-2-1-7-19-12/h1-7,15H,8-9H2,(H,14,16)
InChIKeyUPJHSNUBGHOHTH-UHFFFAOYSA-N
XLogP0.74
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-pyrazol-1-ylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 51122550
N-(furan-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 38254401
N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 31972396
N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 36664417
2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 112993228
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate
CID 43065279
N-[2-(ethylamino)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 119507324
N-[2-(4-chlorophenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 22422194
N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide
CID 15997579
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 60556582
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)butanamide
CID 18136265
2-[(4-acetamidophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 112993213

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide (CID 112993206) is N-(pyridin-4-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide is O=C(CNS(=O)(=O)c1cccs1)NCc1ccncc1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide?
The InChIKey is UPJHSNUBGHOHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S2/c16-11(14-8-10-3-5-13-6-4-10)9-15-20(17,18)12-2-1-7-19-12/h1-7,15H,8-9H2,(H,14,16).
What are the key properties of N-(pyridin-4-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide?
N-(pyridin-4-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide has a molecular weight of 311.39 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide is sourced from PubChem (CID 112993206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).