2-chloro-N-[4-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)thiophen-2-yl]benzamide

C21H20ClN3O2S — CID 154774868

IUPAC2-chloro-N-[4-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)thiophen-2-yl]benzamide
SMILESCc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)n1cccc/c1=N\C(C)C
InChIInChI=1S/C21H20ClN3O2S/c1-13(2)23-17-10-6-7-11-25(17)21(27)19-14(3)12-18(28-19)24-20(26)15-8-4-5-9-16(15)22/h4-13H,1-3H3,(H,24,26)/b23-17+
InChIKeyYVGIUUGXUCFNLC-HAVVHWLPSA-N
MW413.93 g/mol
LogP4.76
Rot. Bonds4

About 2-chloro-N-[4-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)thiophen-2-yl]benzamide

2-chloro-N-[4-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)thiophen-2-yl]benzamide (PubChem CID 154774868) has the molecular formula C21H20ClN3O2S and a molecular weight of 413.93 g/mol. Its IUPAC name is 2-chloro-N-[4-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)thiophen-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)thiophen-2-yl]benzamide
PubChem CID154774868
Molecular FormulaC21H20ClN3O2S
Molecular Weight413.93 g/mol
Exact Mass413.10
IUPAC Name2-chloro-N-[4-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)thiophen-2-yl]benzamide
SMILESCc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)n1cccc/c1=N\C(C)C
InChIInChI=1S/C21H20ClN3O2S/c1-13(2)23-17-10-6-7-11-25(17)21(27)19-14(3)12-18(28-19)24-20(26)15-8-4-5-9-16(15)22/h4-13H,1-3H3,(H,24,26)/b23-17+
InChIKeyYVGIUUGXUCFNLC-HAVVHWLPSA-N
XLogP4.76
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)thiophen-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[4-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)thiophen-2-yl]benzamide (CID 154774868) is 2-chloro-N-[4-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)thiophen-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)thiophen-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[4-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)thiophen-2-yl]benzamide is Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)n1cccc/c1=N\C(C)C.
What is the InChIKey of 2-chloro-N-[4-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)thiophen-2-yl]benzamide?
The InChIKey is YVGIUUGXUCFNLC-HAVVHWLPSA-N. The full InChI is InChI=1S/C21H20ClN3O2S/c1-13(2)23-17-10-6-7-11-25(17)21(27)19-14(3)12-18(28-19)24-20(26)15-8-4-5-9-16(15)22/h4-13H,1-3H3,(H,24,26)/b23-17+.
What are the key properties of 2-chloro-N-[4-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)thiophen-2-yl]benzamide?
2-chloro-N-[4-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)thiophen-2-yl]benzamide has a molecular weight of 413.93 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-methyl-5-(2-propan-2-yliminopyridine-1-carbonyl)thiophen-2-yl]benzamide is sourced from PubChem (CID 154774868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).