N-[6-acetyl-3-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide

C21H22N2O3S — CID 11740632

IUPACN-[6-acetyl-3-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)C3CC3)c2C(=O)c2ccccc2C)C1
InChIInChI=1S/C21H22N2O3S/c1-12-5-3-4-6-15(12)19(25)18-16-9-10-23(13(2)24)11-17(16)27-21(18)22-20(26)14-7-8-14/h3-6,14H,7-11H2,1-2H3,(H,22,26)
InChIKeyUVRNPTACJJWPFZ-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.54
Rot. Bonds4

About N-[6-acetyl-3-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide

N-[6-acetyl-3-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 11740632) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[6-acetyl-3-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-acetyl-3-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID11740632
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-[6-acetyl-3-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)C3CC3)c2C(=O)c2ccccc2C)C1
InChIInChI=1S/C21H22N2O3S/c1-12-5-3-4-6-15(12)19(25)18-16-9-10-23(13(2)24)11-17(16)27-21(18)22-20(26)14-7-8-14/h3-6,14H,7-11H2,1-2H3,(H,22,26)
InChIKeyUVRNPTACJJWPFZ-UHFFFAOYSA-N
XLogP3.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-acetyl-3-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-acetyl-3-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide (CID 11740632) is N-[6-acetyl-3-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-acetyl-3-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-acetyl-3-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide is CC(=O)N1CCc2c(sc(NC(=O)C3CC3)c2C(=O)c2ccccc2C)C1.
What is the InChIKey of N-[6-acetyl-3-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is UVRNPTACJJWPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-12-5-3-4-6-15(12)19(25)18-16-9-10-23(13(2)24)11-17(16)27-21(18)22-20(26)14-7-8-14/h3-6,14H,7-11H2,1-2H3,(H,22,26).
What are the key properties of N-[6-acetyl-3-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide?
N-[6-acetyl-3-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-acetyl-3-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 11740632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).