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

C18H15NO3S2 — CID 90612517

IUPAC4-methoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc1
InChIInChI=1S/C18H15NO3S2/c1-22-14-4-2-12(3-5-14)18(21)19-10-15-6-7-16(24-15)17(20)13-8-9-23-11-13/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyRAXAVDXAAMEMGI-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.98
Rot. Bonds6

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

4-methoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide (PubChem CID 90612517) has the molecular formula C18H15NO3S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-methoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
PubChem CID90612517
Molecular FormulaC18H15NO3S2
Molecular Weight357.46 g/mol
Exact Mass357.05
IUPAC Name4-methoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc1
InChIInChI=1S/C18H15NO3S2/c1-22-14-4-2-12(3-5-14)18(21)19-10-15-6-7-16(24-15)17(20)13-8-9-23-11-13/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyRAXAVDXAAMEMGI-UHFFFAOYSA-N
XLogP3.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612558
4-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612500
N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 72717594
2,4-dimethoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612561
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'-(2,4-dimethoxyphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612790
4-bromo-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 72717695
ethyl 2-oxo-2-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylamino]acetate
CID 90612492
(5-ethylthiophen-2-yl)-thiophen-3-ylmethanone
CID 13356126
1-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 90612845

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide?
The IUPAC name of 4-methoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide (CID 90612517) is 4-methoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide?
The canonical SMILES for 4-methoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide is COc1ccc(C(=O)NCc2ccc(C(=O)c3ccsc3)s2)cc1.
What is the InChIKey of 4-methoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide?
The InChIKey is RAXAVDXAAMEMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S2/c1-22-14-4-2-12(3-5-14)18(21)19-10-15-6-7-16(24-15)17(20)13-8-9-23-11-13/h2-9,11H,10H2,1H3,(H,19,21).
What are the key properties of 4-methoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide?
4-methoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide has a molecular weight of 357.46 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 90612517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).