5-chloro-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]thiophene-2-carboxamide

C18H15ClN2O3S — CID 55800565

IUPAC5-chloro-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]thiophene-2-carboxamide
SMILESCOc1cccc(Oc2ccc(CNC(=O)c3ccc(Cl)s3)cn2)c1
InChIInChI=1S/C18H15ClN2O3S/c1-23-13-3-2-4-14(9-13)24-17-8-5-12(10-20-17)11-21-18(22)15-6-7-16(19)25-15/h2-10H,11H2,1H3,(H,21,22)
InChIKeyMDKALOCEBFSUID-UHFFFAOYSA-N
MW374.85 g/mol
LogP4.53
Rot. Bonds6

About 5-chloro-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]thiophene-2-carboxamide

5-chloro-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]thiophene-2-carboxamide (PubChem CID 55800565) has the molecular formula C18H15ClN2O3S and a molecular weight of 374.85 g/mol. Its IUPAC name is 5-chloro-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]thiophene-2-carboxamide
PubChem CID55800565
Molecular FormulaC18H15ClN2O3S
Molecular Weight374.85 g/mol
Exact Mass374.05
IUPAC Name5-chloro-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]thiophene-2-carboxamide
SMILESCOc1cccc(Oc2ccc(CNC(=O)c3ccc(Cl)s3)cn2)c1
InChIInChI=1S/C18H15ClN2O3S/c1-23-13-3-2-4-14(9-13)24-17-8-5-12(10-20-17)11-21-18(22)15-6-7-16(19)25-15/h2-10H,11H2,1H3,(H,21,22)
InChIKeyMDKALOCEBFSUID-UHFFFAOYSA-N
XLogP4.53
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-3-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-methylurea
CID 55797663
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide
CID 55800754
2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide;dihydrochloride
CID 119847596
3-chloro-4-ethoxy-5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]benzamide
CID 55800500
4-bromo-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 55858376
3-benzyl-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxophthalazine-1-carboxamide
CID 55800603
1-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dimethylguanidine
CID 110916201
5-ethyl-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
CID 78901654
1-[(2-chlorophenyl)methyl]-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]pyrazole-4-carboxamide
CID 55800503
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 55801632
1-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119847608
1-[(2S)-1-hydroxypropan-2-yl]-3-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]urea
CID 94055158

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]thiophene-2-carboxamide (CID 55800565) is 5-chloro-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]thiophene-2-carboxamide is COc1cccc(Oc2ccc(CNC(=O)c3ccc(Cl)s3)cn2)c1.
What is the InChIKey of 5-chloro-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]thiophene-2-carboxamide?
The InChIKey is MDKALOCEBFSUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S/c1-23-13-3-2-4-14(9-13)24-17-8-5-12(10-20-17)11-21-18(22)15-6-7-16(19)25-15/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of 5-chloro-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]thiophene-2-carboxamide has a molecular weight of 374.85 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 55800565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).