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

C26H20FN3O2S — CID 22099567

IUPACN-[5-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3sccc3Cc3ccccc32)cn1
InChIInChI=1S/C26H20FN3O2S/c1-16-6-8-20(27)13-21(16)25(31)29-24-9-7-19(14-28-24)26(32)30-15-23-18(10-11-33-23)12-17-4-2-3-5-22(17)30/h2-11,13-14H,12,15H2,1H3,(H,28,29,31)
InChIKeyVDOUXWOMGBZCLO-UHFFFAOYSA-N
MW457.53 g/mol
LogP5.59
Rot. Bonds3

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

N-[5-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide (PubChem CID 22099567) has the molecular formula C26H20FN3O2S and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[5-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[5-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide
PubChem CID22099567
Molecular FormulaC26H20FN3O2S
Molecular Weight457.53 g/mol
Exact Mass457.13
IUPAC NameN-[5-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3sccc3Cc3ccccc32)cn1
InChIInChI=1S/C26H20FN3O2S/c1-16-6-8-20(27)13-21(16)25(31)29-24-9-7-19(14-28-24)26(32)30-15-23-18(10-11-33-23)12-17-4-2-3-5-22(17)30/h2-11,13-14H,12,15H2,1H3,(H,28,29,31)
InChIKeyVDOUXWOMGBZCLO-UHFFFAOYSA-N
XLogP5.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.53
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide?
The IUPAC name of N-[5-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide (CID 22099567) is N-[5-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[5-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-[5-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3sccc3Cc3ccccc32)cn1.
What is the InChIKey of N-[5-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide?
The InChIKey is VDOUXWOMGBZCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O2S/c1-16-6-8-20(27)13-21(16)25(31)29-24-9-7-19(14-28-24)26(32)30-15-23-18(10-11-33-23)12-17-4-2-3-5-22(17)30/h2-11,13-14H,12,15H2,1H3,(H,28,29,31).
What are the key properties of N-[5-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide?
N-[5-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide has a molecular weight of 457.53 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4,10-dihydrothieno[2,3-c][1]benzazepine-5-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 22099567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).