N-(8-benzamidothianthren-2-yl)benzamide

C26H18N2O2S2 — CID 19906687

IUPACN-(8-benzamidothianthren-2-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)Sc1cc(NC(=O)c3ccccc3)ccc1S2)c1ccccc1
InChIInChI=1S/C26H18N2O2S2/c29-25(17-7-3-1-4-8-17)27-19-11-13-21-23(15-19)32-24-16-20(12-14-22(24)31-21)28-26(30)18-9-5-2-6-10-18/h1-16H,(H,27,29)(H,28,30)
InChIKeyTUMDDXYQTQJUOU-UHFFFAOYSA-N
MW454.58 g/mol
LogP6.81
Rot. Bonds4

About N-(8-benzamidothianthren-2-yl)benzamide

N-(8-benzamidothianthren-2-yl)benzamide (PubChem CID 19906687) has the molecular formula C26H18N2O2S2 and a molecular weight of 454.58 g/mol. Its IUPAC name is N-(8-benzamidothianthren-2-yl)benzamide.

Molecular Properties

Compound NameN-(8-benzamidothianthren-2-yl)benzamide
PubChem CID19906687
Molecular FormulaC26H18N2O2S2
Molecular Weight454.58 g/mol
Exact Mass454.08
IUPAC NameN-(8-benzamidothianthren-2-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)Sc1cc(NC(=O)c3ccccc3)ccc1S2)c1ccccc1
InChIInChI=1S/C26H18N2O2S2/c29-25(17-7-3-1-4-8-17)27-19-11-13-21-23(15-19)32-24-16-20(12-14-22(24)31-21)28-26(30)18-9-5-2-6-10-18/h1-16H,(H,27,29)(H,28,30)
InChIKeyTUMDDXYQTQJUOU-UHFFFAOYSA-N
XLogP6.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.58
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzamidophenyl)carbamic acid
CID 18543096
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
molecular hydrogen;N-phenylbenzamide
CID 145238042
3,5-dibenzamido-N-phenylbenzamide
CID 17340966
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
(8-benzoylthianthren-2-yl)-phenylmethanone
CID 19906753
N-(4-isocyanophenyl)benzamide
CID 58674132
N-[4-(ethylamino)phenyl]benzamide
CID 71038629
calcium 4-benzamido-2-hydroxybenzoic acid
CID 54607902
4-benzamidosalicylic acid, calcium salt
CID 126959845
5-benzamido-2-iodobenzoic acid
CID 2974228

Frequently Asked Questions

What is the IUPAC name of N-(8-benzamidothianthren-2-yl)benzamide?
The IUPAC name of N-(8-benzamidothianthren-2-yl)benzamide (CID 19906687) is N-(8-benzamidothianthren-2-yl)benzamide.
What is the SMILES notation for N-(8-benzamidothianthren-2-yl)benzamide?
The canonical SMILES for N-(8-benzamidothianthren-2-yl)benzamide is O=C(Nc1ccc2c(c1)Sc1cc(NC(=O)c3ccccc3)ccc1S2)c1ccccc1.
What is the InChIKey of N-(8-benzamidothianthren-2-yl)benzamide?
The InChIKey is TUMDDXYQTQJUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O2S2/c29-25(17-7-3-1-4-8-17)27-19-11-13-21-23(15-19)32-24-16-20(12-14-22(24)31-21)28-26(30)18-9-5-2-6-10-18/h1-16H,(H,27,29)(H,28,30).
What are the key properties of N-(8-benzamidothianthren-2-yl)benzamide?
N-(8-benzamidothianthren-2-yl)benzamide has a molecular weight of 454.58 g/mol, XLogP of 6.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-benzamidothianthren-2-yl)benzamide is sourced from PubChem (CID 19906687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).