N-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]-4-methylphenyl]-4-chlorobenzamide

C22H18ClN3O2S — CID 141166239

IUPACN-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]-4-methylphenyl]-4-chlorobenzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)cc2)cc1OCc1csc2ccnc(N)c12
InChIInChI=1S/C22H18ClN3O2S/c1-13-2-7-17(26-22(27)14-3-5-16(23)6-4-14)10-18(13)28-11-15-12-29-19-8-9-25-21(24)20(15)19/h2-10,12H,11H2,1H3,(H2,24,25)(H,26,27)
InChIKeyCQUZCDKPKJADPD-UHFFFAOYSA-N
MW423.93 g/mol
LogP5.67
Rot. Bonds5

About N-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]-4-methylphenyl]-4-chlorobenzamide

N-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]-4-methylphenyl]-4-chlorobenzamide (PubChem CID 141166239) has the molecular formula C22H18ClN3O2S and a molecular weight of 423.93 g/mol. Its IUPAC name is N-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]-4-methylphenyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]-4-methylphenyl]-4-chlorobenzamide
PubChem CID141166239
Molecular FormulaC22H18ClN3O2S
Molecular Weight423.93 g/mol
Exact Mass423.08
IUPAC NameN-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]-4-methylphenyl]-4-chlorobenzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)cc2)cc1OCc1csc2ccnc(N)c12
InChIInChI=1S/C22H18ClN3O2S/c1-13-2-7-17(26-22(27)14-3-5-16(23)6-4-14)10-18(13)28-11-15-12-29-19-8-9-25-21(24)20(15)19/h2-10,12H,11H2,1H3,(H2,24,25)(H,26,27)
InChIKeyCQUZCDKPKJADPD-UHFFFAOYSA-N
XLogP5.67
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.93
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]-4-methylphenyl]-4-chlorobenzamide?
The IUPAC name of N-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]-4-methylphenyl]-4-chlorobenzamide (CID 141166239) is N-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]-4-methylphenyl]-4-chlorobenzamide.
What is the SMILES notation for N-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]-4-methylphenyl]-4-chlorobenzamide?
The canonical SMILES for N-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]-4-methylphenyl]-4-chlorobenzamide is Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1OCc1csc2ccnc(N)c12.
What is the InChIKey of N-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]-4-methylphenyl]-4-chlorobenzamide?
The InChIKey is CQUZCDKPKJADPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2S/c1-13-2-7-17(26-22(27)14-3-5-16(23)6-4-14)10-18(13)28-11-15-12-29-19-8-9-25-21(24)20(15)19/h2-10,12H,11H2,1H3,(H2,24,25)(H,26,27).
What are the key properties of N-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]-4-methylphenyl]-4-chlorobenzamide?
N-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]-4-methylphenyl]-4-chlorobenzamide has a molecular weight of 423.93 g/mol, XLogP of 5.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-aminothieno[3,2-c]pyridin-3-yl)methoxy]-4-methylphenyl]-4-chlorobenzamide is sourced from PubChem (CID 141166239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).