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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Related Compounds

3-amino-N-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 689989
(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(4-methoxyphenyl)methanone
CID 698706
3-amino-N-cyclohexyl-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 713424
3-Amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 704064
N-(7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]thieno[3,2-e]pyridin-3-yl)benzamide
CID 917057
Ethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 690223
[3-Amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-piperidin-1-ylmethanone
CID 707716
3-amino-N-(2-fluorophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 926746
3-amino-4-(methoxymethyl)-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 1018148
5-chloro-N-(4-ethylphenyl)-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 5302633
Methyl 4-({[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]carbonyl}amino)benzoate
CID 1006899
3-Amino-4-furan-2-yl-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxylic acid p-tolylamide
CID 1829266

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).