2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide

C16H19N3O4S2 — CID 7893113

IUPAC2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)NCc1cccs1
InChIInChI=1S/C16H19N3O4S2/c20-15(17-10-13-4-3-9-24-13)12-18-11-14(5-6-16(18)21)25(22,23)19-7-1-2-8-19/h3-6,9,11H,1-2,7-8,10,12H2,(H,17,20)
InChIKeyXTAGNMLZLSWKJX-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.01
Rot. Bonds6

About 2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide

2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 7893113) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID7893113
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC Name2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)NCc1cccs1
InChIInChI=1S/C16H19N3O4S2/c20-15(17-10-13-4-3-9-24-13)12-18-11-14(5-6-16(18)21)25(22,23)19-7-1-2-8-19/h3-6,9,11H,1-2,7-8,10,12H2,(H,17,20)
InChIKeyXTAGNMLZLSWKJX-UHFFFAOYSA-N
XLogP1.01
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide (CID 7893113) is 2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide is O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)NCc1cccs1.
What is the InChIKey of 2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is XTAGNMLZLSWKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c20-15(17-10-13-4-3-9-24-13)12-18-11-14(5-6-16(18)21)25(22,23)19-7-1-2-8-19/h3-6,9,11H,1-2,7-8,10,12H2,(H,17,20).
What are the key properties of 2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide?
2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 381.48 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 7893113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).