N-[2-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)-1H-pyridin-2-yl]-5-fluoro-2-methylbenzamide

C26H22FN3O2S — CID 142627614

IUPACN-[2-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)-1H-pyridin-2-yl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NC1(C(=O)N2Cc3sccc3Cc3ccccc32)C=CC=CN1
InChIInChI=1S/C26H22FN3O2S/c1-17-8-9-20(27)15-21(17)24(31)29-26(11-4-5-12-28-26)25(32)30-16-23-19(10-13-33-23)14-18-6-2-3-7-22(18)30/h2-13,15,28H,14,16H2,1H3,(H,29,31)
InChIKeyNSPJIBUIEAEDBF-UHFFFAOYSA-N
MW459.55 g/mol
LogP4.43
Rot. Bonds3

About N-[2-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)-1H-pyridin-2-yl]-5-fluoro-2-methylbenzamide

N-[2-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)-1H-pyridin-2-yl]-5-fluoro-2-methylbenzamide (PubChem CID 142627614) has the molecular formula C26H22FN3O2S and a molecular weight of 459.55 g/mol. Its IUPAC name is N-[2-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)-1H-pyridin-2-yl]-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)-1H-pyridin-2-yl]-5-fluoro-2-methylbenzamide
PubChem CID142627614
Molecular FormulaC26H22FN3O2S
Molecular Weight459.55 g/mol
Exact Mass459.14
IUPAC NameN-[2-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)-1H-pyridin-2-yl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NC1(C(=O)N2Cc3sccc3Cc3ccccc32)C=CC=CN1
InChIInChI=1S/C26H22FN3O2S/c1-17-8-9-20(27)15-21(17)24(31)29-26(11-4-5-12-28-26)25(32)30-16-23-19(10-13-33-23)14-18-6-2-3-7-22(18)30/h2-13,15,28H,14,16H2,1H3,(H,29,31)
InChIKeyNSPJIBUIEAEDBF-UHFFFAOYSA-N
XLogP4.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)-1H-pyridin-2-yl]-5-fluoro-2-methylbenzamide?
The IUPAC name of N-[2-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)-1H-pyridin-2-yl]-5-fluoro-2-methylbenzamide (CID 142627614) is N-[2-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)-1H-pyridin-2-yl]-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[2-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)-1H-pyridin-2-yl]-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-[2-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)-1H-pyridin-2-yl]-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)NC1(C(=O)N2Cc3sccc3Cc3ccccc32)C=CC=CN1.
What is the InChIKey of N-[2-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)-1H-pyridin-2-yl]-5-fluoro-2-methylbenzamide?
The InChIKey is NSPJIBUIEAEDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O2S/c1-17-8-9-20(27)15-21(17)24(31)29-26(11-4-5-12-28-26)25(32)30-16-23-19(10-13-33-23)14-18-6-2-3-7-22(18)30/h2-13,15,28H,14,16H2,1H3,(H,29,31).
What are the key properties of N-[2-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)-1H-pyridin-2-yl]-5-fluoro-2-methylbenzamide?
N-[2-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)-1H-pyridin-2-yl]-5-fluoro-2-methylbenzamide has a molecular weight of 459.55 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)-1H-pyridin-2-yl]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 142627614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).