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

C19H17NO2S2 — CID 71803337

IUPAC3,4-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccc(C(=O)c3cccs3)s2)cc1C
InChIInChI=1S/C19H17NO2S2/c1-12-5-6-14(10-13(12)2)19(22)20-11-15-7-8-17(24-15)18(21)16-4-3-9-23-16/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyMAGULSCWYNYUFS-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.59
Rot. Bonds5

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

3,4-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide (PubChem CID 71803337) has the molecular formula C19H17NO2S2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 3,4-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
PubChem CID71803337
Molecular FormulaC19H17NO2S2
Molecular Weight355.48 g/mol
Exact Mass355.07
IUPAC Name3,4-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccc(C(=O)c3cccs3)s2)cc1C
InChIInChI=1S/C19H17NO2S2/c1-12-5-6-14(10-13(12)2)19(22)20-11-15-7-8-17(24-15)18(21)16-4-3-9-23-16/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyMAGULSCWYNYUFS-UHFFFAOYSA-N
XLogP4.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131645
3,4-dimethoxy-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131693
N-[(5-benzoylthiophen-2-yl)methyl]-3,4-dimethylbenzamide
CID 90612882
N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 71803346
3-fluoro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131635
4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiadiazole-5-carboxamide
CID 121131639
2,3,5,6-tetramethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 121131813
2-oxo-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]chromene-3-carboxamide
CID 121131705
2-(4-phenylphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]acetamide
CID 121131732
2-(4-methylphenoxy)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]acetamide
CID 121131670
3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460548
1-prop-2-enyl-3-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]urea
CID 121131918

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide (CID 71803337) is 3,4-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide is Cc1ccc(C(=O)NCc2ccc(C(=O)c3cccs3)s2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide?
The InChIKey is MAGULSCWYNYUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S2/c1-12-5-6-14(10-13(12)2)19(22)20-11-15-7-8-17(24-15)18(21)16-4-3-9-23-16/h3-10H,11H2,1-2H3,(H,20,22).
What are the key properties of 3,4-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide?
3,4-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide has a molecular weight of 355.48 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 71803337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).