N-[(4-chlorophenyl)methyl]-3-[(2-methoxybenzoyl)amino]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride

C26H25Cl2N3O3S — CID 90485558

IUPACN-[(4-chlorophenyl)methyl]-3-[(2-methoxybenzoyl)amino]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride
SMILESCOc1ccccc1C(=O)Nc1c(C(=O)NCc2ccc(Cl)cc2)sc2nc(C)c(C)c(C)c12.Cl
InChIInChI=1S/C26H24ClN3O3S.ClH/c1-14-15(2)21-22(30-24(31)19-7-5-6-8-20(19)33-4)23(34-26(21)29-16(14)3)25(32)28-13-17-9-11-18(27)12-10-17;/h5-12H,13H2,1-4H3,(H,28,32)(H,30,31);1H
InChIKeyHMAVOEKJKSRIDR-UHFFFAOYSA-N
MW530.48 g/mol
LogP6.49
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-3-[(2-methoxybenzoyl)amino]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride

N-[(4-chlorophenyl)methyl]-3-[(2-methoxybenzoyl)amino]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride (PubChem CID 90485558) has the molecular formula C26H25Cl2N3O3S and a molecular weight of 530.48 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-[(2-methoxybenzoyl)amino]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-[(2-methoxybenzoyl)amino]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride
PubChem CID90485558
Molecular FormulaC26H25Cl2N3O3S
Molecular Weight530.48 g/mol
Exact Mass529.10
IUPAC NameN-[(4-chlorophenyl)methyl]-3-[(2-methoxybenzoyl)amino]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride
SMILESCOc1ccccc1C(=O)Nc1c(C(=O)NCc2ccc(Cl)cc2)sc2nc(C)c(C)c(C)c12.Cl
InChIInChI=1S/C26H24ClN3O3S.ClH/c1-14-15(2)21-22(30-24(31)19-7-5-6-8-20(19)33-4)23(34-26(21)29-16(14)3)25(32)28-13-17-9-11-18(27)12-10-17;/h5-12H,13H2,1-4H3,(H,28,32)(H,30,31);1H
InChIKeyHMAVOEKJKSRIDR-UHFFFAOYSA-N
XLogP6.49
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.48
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-[(2-methoxybenzoyl)amino]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-[(2-methoxybenzoyl)amino]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride (CID 90485558) is N-[(4-chlorophenyl)methyl]-3-[(2-methoxybenzoyl)amino]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-[(2-methoxybenzoyl)amino]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-[(2-methoxybenzoyl)amino]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride is COc1ccccc1C(=O)Nc1c(C(=O)NCc2ccc(Cl)cc2)sc2nc(C)c(C)c(C)c12.Cl.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-[(2-methoxybenzoyl)amino]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
The InChIKey is HMAVOEKJKSRIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O3S.ClH/c1-14-15(2)21-22(30-24(31)19-7-5-6-8-20(19)33-4)23(34-26(21)29-16(14)3)25(32)28-13-17-9-11-18(27)12-10-17;/h5-12H,13H2,1-4H3,(H,28,32)(H,30,31);1H.
What are the key properties of N-[(4-chlorophenyl)methyl]-3-[(2-methoxybenzoyl)amino]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride?
N-[(4-chlorophenyl)methyl]-3-[(2-methoxybenzoyl)amino]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride has a molecular weight of 530.48 g/mol, XLogP of 6.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-[(2-methoxybenzoyl)amino]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 90485558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).