N-[2-benzoyl-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-chloroacetamide

C19H17ClN2O3S — CID 16761636

IUPACN-[2-benzoyl-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-chloroacetamide
SMILESCOCc1cc(C)nc2sc(C(=O)c3ccccc3)c(NC(=O)CCl)c12
InChIInChI=1S/C19H17ClN2O3S/c1-11-8-13(10-25-2)15-16(22-14(23)9-20)18(26-19(15)21-11)17(24)12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3,(H,22,23)
InChIKeyMHSAASSNUGEFFT-UHFFFAOYSA-N
MW388.88 g/mol
LogP4.16
Rot. Bonds6

About N-[2-benzoyl-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-chloroacetamide

N-[2-benzoyl-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-chloroacetamide (PubChem CID 16761636) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is N-[2-benzoyl-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[2-benzoyl-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-chloroacetamide
PubChem CID16761636
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC NameN-[2-benzoyl-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-chloroacetamide
SMILESCOCc1cc(C)nc2sc(C(=O)c3ccccc3)c(NC(=O)CCl)c12
InChIInChI=1S/C19H17ClN2O3S/c1-11-8-13(10-25-2)15-16(22-14(23)9-20)18(26-19(15)21-11)17(24)12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3,(H,22,23)
InChIKeyMHSAASSNUGEFFT-UHFFFAOYSA-N
XLogP4.16
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-benzoyl-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-chloroacetamide?
The IUPAC name of N-[2-benzoyl-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-chloroacetamide (CID 16761636) is N-[2-benzoyl-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-chloroacetamide.
What is the SMILES notation for N-[2-benzoyl-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-chloroacetamide?
The canonical SMILES for N-[2-benzoyl-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-chloroacetamide is COCc1cc(C)nc2sc(C(=O)c3ccccc3)c(NC(=O)CCl)c12.
What is the InChIKey of N-[2-benzoyl-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-chloroacetamide?
The InChIKey is MHSAASSNUGEFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c1-11-8-13(10-25-2)15-16(22-14(23)9-20)18(26-19(15)21-11)17(24)12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3,(H,22,23).
What are the key properties of N-[2-benzoyl-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-chloroacetamide?
N-[2-benzoyl-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-chloroacetamide has a molecular weight of 388.88 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-benzoyl-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-chloroacetamide is sourced from PubChem (CID 16761636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).