3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]-1-benzothiophene-2-carboxamide

C22H18N2O2S — CID 38669121

IUPAC3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(OCc3ccccn3)c2)sc2ccccc12
InChIInChI=1S/C22H18N2O2S/c1-15-19-10-2-3-11-20(19)27-21(15)22(25)24-16-8-6-9-18(13-16)26-14-17-7-4-5-12-23-17/h2-13H,14H2,1H3,(H,24,25)
InChIKeyGVNIBKCRUCZSAX-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.44
Rot. Bonds5

About 3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]-1-benzothiophene-2-carboxamide

3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 38669121) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]-1-benzothiophene-2-carboxamide
PubChem CID38669121
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(OCc3ccccn3)c2)sc2ccccc12
InChIInChI=1S/C22H18N2O2S/c1-15-19-10-2-3-11-20(19)27-21(15)22(25)24-16-8-6-9-18(13-16)26-14-17-7-4-5-12-23-17/h2-13H,14H2,1H3,(H,24,25)
InChIKeyGVNIBKCRUCZSAX-UHFFFAOYSA-N
XLogP5.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-cyanopropoxy)phenyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 55960734
5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]thiophene-2-carboxamide
CID 55851405
4-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 38670554
3-phenylmethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 33498503
5-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]-1H-indazole-3-carboxamide
CID 78867764
5-(1,3-benzothiazol-2-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]furan-2-carboxamide
CID 46461021
3-(phenoxymethyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]furan-2-carboxamide
CID 38668380
ethyl 2-[3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenoxy]acetate
CID 39269573
3-(3,5-dimethylphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]propanamide
CID 55653561
5-chloro-2-iodo-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 55691116
2-methylsulfanyl-3-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]imidazole-4-carboxamide
CID 38668529
(2S)-2-hydroxy-2-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 75514519

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]-1-benzothiophene-2-carboxamide (CID 38669121) is 3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]-1-benzothiophene-2-carboxamide is Cc1c(C(=O)Nc2cccc(OCc3ccccn3)c2)sc2ccccc12.
What is the InChIKey of 3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is GVNIBKCRUCZSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-15-19-10-2-3-11-20(19)27-21(15)22(25)24-16-8-6-9-18(13-16)26-14-17-7-4-5-12-23-17/h2-13H,14H2,1H3,(H,24,25).
What are the key properties of 3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]-1-benzothiophene-2-carboxamide?
3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(pyridin-2-ylmethoxy)phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 38669121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).