4-cyano-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide

C18H12N2O2S2 — CID 90612509

IUPAC4-cyano-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
SMILESN#Cc1ccc(C(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc1
InChIInChI=1S/C18H12N2O2S2/c19-9-12-1-3-13(4-2-12)18(22)20-10-15-5-6-16(24-15)17(21)14-7-8-23-11-14/h1-8,11H,10H2,(H,20,22)
InChIKeyYVIOKWGCGPEZLC-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.84
Rot. Bonds5

About 4-cyano-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide

4-cyano-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide (PubChem CID 90612509) has the molecular formula C18H12N2O2S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-cyano-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
PubChem CID90612509
Molecular FormulaC18H12N2O2S2
Molecular Weight352.44 g/mol
Exact Mass352.03
IUPAC Name4-cyano-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
SMILESN#Cc1ccc(C(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc1
InChIInChI=1S/C18H12N2O2S2/c19-9-12-1-3-13(4-2-12)18(22)20-10-15-5-6-16(24-15)17(21)14-7-8-23-11-14/h1-8,11H,10H2,(H,20,22)
InChIKeyYVIOKWGCGPEZLC-UHFFFAOYSA-N
XLogP3.84
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612500
4-methoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612517
3,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612529
3,4-dichloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 72717589
N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 72717594
3,5-dimethoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612558
4-bromo-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 72717695
4,4,4-trifluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]butanamide
CID 90613215
2,5-dichloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612572
2,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612528
5-bromo-2-chloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612616
ethyl 2-oxo-2-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylamino]acetate
CID 90612492

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide?
The IUPAC name of 4-cyano-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide (CID 90612509) is 4-cyano-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 4-cyano-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide?
The canonical SMILES for 4-cyano-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide is N#Cc1ccc(C(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc1.
What is the InChIKey of 4-cyano-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide?
The InChIKey is YVIOKWGCGPEZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2S2/c19-9-12-1-3-13(4-2-12)18(22)20-10-15-5-6-16(24-15)17(21)14-7-8-23-11-14/h1-8,11H,10H2,(H,20,22).
What are the key properties of 4-cyano-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide?
4-cyano-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide has a molecular weight of 352.44 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 90612509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).