N-(2-formylthieno[3,2-c]pyridin-4-yl)benzamide;N-thieno[3,2-c]pyridin-4-ylbenzamide

C29H20N4O3S2 — CID 167654711

IUPACN-(2-formylthieno[3,2-c]pyridin-4-yl)benzamide;N-thieno[3,2-c]pyridin-4-ylbenzamide
SMILESO=C(Nc1nccc2sccc12)c1ccccc1.O=Cc1cc2c(NC(=O)c3ccccc3)nccc2s1
InChIInChI=1S/C15H10N2O2S.C14H10N2OS/c18-9-11-8-12-13(20-11)6-7-16-14(12)17-15(19)10-4-2-1-3-5-10;17-14(10-4-2-1-3-5-10)16-13-11-7-9-18-12(11)6-8-15-13/h1-9H,(H,16,17,19);1-9H,(H,15,16,17)
InChIKeyRBWUDKMCYQHBPH-UHFFFAOYSA-N
MW536.64 g/mol
LogP6.91
Rot. Bonds5

About N-(2-formylthieno[3,2-c]pyridin-4-yl)benzamide;N-thieno[3,2-c]pyridin-4-ylbenzamide

N-(2-formylthieno[3,2-c]pyridin-4-yl)benzamide;N-thieno[3,2-c]pyridin-4-ylbenzamide (PubChem CID 167654711) has the molecular formula C29H20N4O3S2 and a molecular weight of 536.64 g/mol. Its IUPAC name is N-(2-formylthieno[3,2-c]pyridin-4-yl)benzamide;N-thieno[3,2-c]pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-(2-formylthieno[3,2-c]pyridin-4-yl)benzamide;N-thieno[3,2-c]pyridin-4-ylbenzamide
PubChem CID167654711
Molecular FormulaC29H20N4O3S2
Molecular Weight536.64 g/mol
Exact Mass536.10
IUPAC NameN-(2-formylthieno[3,2-c]pyridin-4-yl)benzamide;N-thieno[3,2-c]pyridin-4-ylbenzamide
SMILESO=C(Nc1nccc2sccc12)c1ccccc1.O=Cc1cc2c(NC(=O)c3ccccc3)nccc2s1
InChIInChI=1S/C15H10N2O2S.C14H10N2OS/c18-9-11-8-12-13(20-11)6-7-16-14(12)17-15(19)10-4-2-1-3-5-10;17-14(10-4-2-1-3-5-10)16-13-11-7-9-18-12(11)6-8-15-13/h1-9H,(H,16,17,19);1-9H,(H,15,16,17)
InChIKeyRBWUDKMCYQHBPH-UHFFFAOYSA-N
XLogP6.91
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.64
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
benzo[e][1]benzothiole-2-carbaldehyde
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CID 91432821
N-(5-formyl-2-pyridinyl)benzamide
CID 159048742
2-(1-benzothiophen-3-yl)-N-phenylpyridine-4-carboxamide
CID 117090009
4-(thieno[3,2-c]pyridin-4-ylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216542
3-(thieno[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid
CID 66031975
2-[(E)-1,2-diphenyl-2-thieno[3,2-e][1]benzothiol-2-ylethenyl]thieno[3,2-e][1]benzothiole
CID 101335692
N-(4-methyl-3-nitro-2-pyridinyl)benzamide
CID 4120370
N-(3-phenylpropyl)thieno[3,2-c]pyridin-4-amine
CID 54931071
N-(5-ethenyl-1,3-thiazol-2-yl)benzamide
CID 123927377
N-tert-butylthieno[3,2-c]pyridin-4-amine
CID 126975731

Frequently Asked Questions

What is the IUPAC name of N-(2-formylthieno[3,2-c]pyridin-4-yl)benzamide;N-thieno[3,2-c]pyridin-4-ylbenzamide?
The IUPAC name of N-(2-formylthieno[3,2-c]pyridin-4-yl)benzamide;N-thieno[3,2-c]pyridin-4-ylbenzamide (CID 167654711) is N-(2-formylthieno[3,2-c]pyridin-4-yl)benzamide;N-thieno[3,2-c]pyridin-4-ylbenzamide.
What is the SMILES notation for N-(2-formylthieno[3,2-c]pyridin-4-yl)benzamide;N-thieno[3,2-c]pyridin-4-ylbenzamide?
The canonical SMILES for N-(2-formylthieno[3,2-c]pyridin-4-yl)benzamide;N-thieno[3,2-c]pyridin-4-ylbenzamide is O=C(Nc1nccc2sccc12)c1ccccc1.O=Cc1cc2c(NC(=O)c3ccccc3)nccc2s1.
What is the InChIKey of N-(2-formylthieno[3,2-c]pyridin-4-yl)benzamide;N-thieno[3,2-c]pyridin-4-ylbenzamide?
The InChIKey is RBWUDKMCYQHBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2S.C14H10N2OS/c18-9-11-8-12-13(20-11)6-7-16-14(12)17-15(19)10-4-2-1-3-5-10;17-14(10-4-2-1-3-5-10)16-13-11-7-9-18-12(11)6-8-15-13/h1-9H,(H,16,17,19);1-9H,(H,15,16,17).
What are the key properties of N-(2-formylthieno[3,2-c]pyridin-4-yl)benzamide;N-thieno[3,2-c]pyridin-4-ylbenzamide?
N-(2-formylthieno[3,2-c]pyridin-4-yl)benzamide;N-thieno[3,2-c]pyridin-4-ylbenzamide has a molecular weight of 536.64 g/mol, XLogP of 6.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formylthieno[3,2-c]pyridin-4-yl)benzamide;N-thieno[3,2-c]pyridin-4-ylbenzamide is sourced from PubChem (CID 167654711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).