2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide

C19H19N3O4S2 — CID 5308619

IUPAC2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C19H19N3O4S2/c1-26-16-8-6-15(7-9-16)22(28(24,25)18-5-2-10-20-13-18)14-19(23)21-12-17-4-3-11-27-17/h2-11,13H,12,14H2,1H3,(H,21,23)
InChIKeyIAHAHLAEICEJAG-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.66
Rot. Bonds8

About 2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide

2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 5308619) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID5308619
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC Name2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C19H19N3O4S2/c1-26-16-8-6-15(7-9-16)22(28(24,25)18-5-2-10-20-13-18)14-19(23)21-12-17-4-3-11-27-17/h2-11,13H,12,14H2,1H3,(H,21,23)
InChIKeyIAHAHLAEICEJAG-UHFFFAOYSA-N
XLogP2.66
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide (CID 5308619) is 2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide is COc1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2cccnc2)cc1.
What is the InChIKey of 2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is IAHAHLAEICEJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-26-16-8-6-15(7-9-16)22(28(24,25)18-5-2-10-20-13-18)14-19(23)21-12-17-4-3-11-27-17/h2-11,13H,12,14H2,1H3,(H,21,23).
What are the key properties of 2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide?
2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 417.51 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 5308619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).