N-(5-chloro-2-pyridinyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide

C19H17ClN2O3S — CID 19495453

IUPACN-(5-chloro-2-pyridinyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1cc(C)ccc1OCc1csc(C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C19H17ClN2O3S/c1-12-3-5-15(16(7-12)24-2)25-10-13-8-17(26-11-13)19(23)22-18-6-4-14(20)9-21-18/h3-9,11H,10H2,1-2H3,(H,21,22,23)
InChIKeyOFGAZEFXYOQHJM-UHFFFAOYSA-N
MW388.88 g/mol
LogP4.94
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide

N-(5-chloro-2-pyridinyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19495453) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19495453
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC NameN-(5-chloro-2-pyridinyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1cc(C)ccc1OCc1csc(C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C19H17ClN2O3S/c1-12-3-5-15(16(7-12)24-2)25-10-13-8-17(26-11-13)19(23)22-18-6-4-14(20)9-21-18/h3-9,11H,10H2,1-2H3,(H,21,22,23)
InChIKeyOFGAZEFXYOQHJM-UHFFFAOYSA-N
XLogP4.94
TPSA60.45 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 ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19495467
N-(3-chloro-2-methylphenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19495432
N-(1-ethyl-5-methylpyrazol-4-yl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19497119
4-[(2-methoxy-4-methylphenoxy)methyl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 19497104
N-(3,5-dichloro-2-pyridinyl)-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471583
N-(2,6-dibromo-4-fluorophenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19495460
4-[(4-chloro-2-methylphenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
CID 19486726
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[4-[(2-methoxy-4-methylphenoxy)methyl]thiophen-2-yl]methanone
CID 19497113
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483502
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483503
N-(furan-2-ylmethyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19495493
N-(5-bromo-2-pyridinyl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499167

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide (CID 19495453) is N-(5-chloro-2-pyridinyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide is COc1cc(C)ccc1OCc1csc(C(=O)Nc2ccc(Cl)cn2)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is OFGAZEFXYOQHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c1-12-3-5-15(16(7-12)24-2)25-10-13-8-17(26-11-13)19(23)22-18-6-4-14(20)9-21-18/h3-9,11H,10H2,1-2H3,(H,21,22,23).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide?
N-(5-chloro-2-pyridinyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 388.88 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19495453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).