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

C18H17ClN2O3S — CID 10292949

IUPACN-[6-acetyl-3-(2-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1sc2c(c1C(=O)c1ccccc1Cl)CCN(C(C)=O)C2
InChIInChI=1S/C18H17ClN2O3S/c1-10(22)20-18-16(17(24)12-5-3-4-6-14(12)19)13-7-8-21(11(2)23)9-15(13)25-18/h3-6H,7-9H2,1-2H3,(H,20,22)
InChIKeyHVNFATMHXIDSAZ-UHFFFAOYSA-N
MW376.87 g/mol
LogP3.50
Rot. Bonds3

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

N-[6-acetyl-3-(2-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide (PubChem CID 10292949) has the molecular formula C18H17ClN2O3S and a molecular weight of 376.87 g/mol. Its IUPAC name is N-[6-acetyl-3-(2-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-acetyl-3-(2-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide
PubChem CID10292949
Molecular FormulaC18H17ClN2O3S
Molecular Weight376.87 g/mol
Exact Mass376.06
IUPAC NameN-[6-acetyl-3-(2-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1sc2c(c1C(=O)c1ccccc1Cl)CCN(C(C)=O)C2
InChIInChI=1S/C18H17ClN2O3S/c1-10(22)20-18-16(17(24)12-5-3-4-6-14(12)19)13-7-8-21(11(2)23)9-15(13)25-18/h3-6H,7-9H2,1-2H3,(H,20,22)
InChIKeyHVNFATMHXIDSAZ-UHFFFAOYSA-N
XLogP3.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 53.50
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-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide?
The IUPAC name of N-[6-acetyl-3-(2-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide (CID 10292949) is N-[6-acetyl-3-(2-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[6-acetyl-3-(2-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide?
The canonical SMILES for N-[6-acetyl-3-(2-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide is CC(=O)Nc1sc2c(c1C(=O)c1ccccc1Cl)CCN(C(C)=O)C2.
What is the InChIKey of N-[6-acetyl-3-(2-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide?
The InChIKey is HVNFATMHXIDSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3S/c1-10(22)20-18-16(17(24)12-5-3-4-6-14(12)19)13-7-8-21(11(2)23)9-15(13)25-18/h3-6H,7-9H2,1-2H3,(H,20,22).
What are the key properties of N-[6-acetyl-3-(2-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide?
N-[6-acetyl-3-(2-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide has a molecular weight of 376.87 g/mol, XLogP of 3.50, 3 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-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide is sourced from PubChem (CID 10292949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).