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

C18H15NO2S2 — CID 90612500

IUPAC4-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc1
InChIInChI=1S/C18H15NO2S2/c1-12-2-4-13(5-3-12)18(21)19-10-15-6-7-16(23-15)17(20)14-8-9-22-11-14/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyINGPKTUNSWPVHT-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.28
Rot. Bonds5

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

4-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide (PubChem CID 90612500) has the molecular formula C18H15NO2S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
PubChem CID90612500
Molecular FormulaC18H15NO2S2
Molecular Weight341.46 g/mol
Exact Mass341.05
IUPAC Name4-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc1
InChIInChI=1S/C18H15NO2S2/c1-12-2-4-13(5-3-12)18(21)19-10-15-6-7-16(23-15)17(20)14-8-9-22-11-14/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyINGPKTUNSWPVHT-UHFFFAOYSA-N
XLogP4.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612517
4-cyano-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612509
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
N'-(2,5-dimethylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612754
ethyl 2-oxo-2-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylamino]acetate
CID 90612492
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
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]acetamide
CID 72717693

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide?
The IUPAC name of 4-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide (CID 90612500) is 4-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 4-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide?
The canonical SMILES for 4-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide is Cc1ccc(C(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc1.
What is the InChIKey of 4-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide?
The InChIKey is INGPKTUNSWPVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2S2/c1-12-2-4-13(5-3-12)18(21)19-10-15-6-7-16(23-15)17(20)14-8-9-22-11-14/h2-9,11H,10H2,1H3,(H,19,21).
What are the key properties of 4-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide?
4-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide has a molecular weight of 341.46 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 90612500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).