2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide

C20H19N3O3S2 — CID 16559091

IUPAC2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(/C=C/c2ccccn2)c1)S(=O)(=O)c1cccs1
InChIInChI=1S/C20H19N3O3S2/c1-23(28(25,26)20-9-5-13-27-20)15-19(24)22-18-8-4-6-16(14-18)10-11-17-7-2-3-12-21-17/h2-14H,15H2,1H3,(H,22,24)/b11-10+
InChIKeyRTZBUMUZEOBFGN-ZHACJKMWSA-N
MW413.52 g/mol
LogP3.57
Rot. Bonds7

About 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide

2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide (PubChem CID 16559091) has the molecular formula C20H19N3O3S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
PubChem CID16559091
Molecular FormulaC20H19N3O3S2
Molecular Weight413.52 g/mol
Exact Mass413.09
IUPAC Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(/C=C/c2ccccn2)c1)S(=O)(=O)c1cccs1
InChIInChI=1S/C20H19N3O3S2/c1-23(28(25,26)20-9-5-13-27-20)15-19(24)22-18-8-4-6-16(14-18)10-11-17-7-2-3-12-21-17/h2-14H,15H2,1H3,(H,22,24)/b11-10+
InChIKeyRTZBUMUZEOBFGN-ZHACJKMWSA-N
XLogP3.57
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide?
The IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide (CID 16559091) is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide.
What is the SMILES notation for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide?
The canonical SMILES for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide is CN(CC(=O)Nc1cccc(/C=C/c2ccccn2)c1)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide?
The InChIKey is RTZBUMUZEOBFGN-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H19N3O3S2/c1-23(28(25,26)20-9-5-13-27-20)15-19(24)22-18-8-4-6-16(14-18)10-11-17-7-2-3-12-21-17/h2-14H,15H2,1H3,(H,22,24)/b11-10+.
What are the key properties of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide?
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide has a molecular weight of 413.52 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide is sourced from PubChem (CID 16559091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).