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

C16H13NO2S3 — CID 71803336

IUPAC4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCc2ccc(C(=O)c3cccs3)s2)c1
InChIInChI=1S/C16H13NO2S3/c1-10-7-14(21-9-10)16(19)17-8-11-4-5-13(22-11)15(18)12-3-2-6-20-12/h2-7,9H,8H2,1H3,(H,17,19)
InChIKeyQJJRYTCOYCESCT-UHFFFAOYSA-N
MW347.49 g/mol
LogP4.34
Rot. Bonds5

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

4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 71803336) has the molecular formula C16H13NO2S3 and a molecular weight of 347.49 g/mol. Its IUPAC name is 4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide
PubChem CID71803336
Molecular FormulaC16H13NO2S3
Molecular Weight347.49 g/mol
Exact Mass347.01
IUPAC Name4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NCc2ccc(C(=O)c3cccs3)s2)c1
InChIInChI=1S/C16H13NO2S3/c1-10-7-14(21-9-10)16(19)17-8-11-4-5-13(22-11)15(18)12-3-2-6-20-12/h2-7,9H,8H2,1H3,(H,17,19)
InChIKeyQJJRYTCOYCESCT-UHFFFAOYSA-N
XLogP4.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide (CID 71803336) is 4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide is Cc1csc(C(=O)NCc2ccc(C(=O)c3cccs3)s2)c1.
What is the InChIKey of 4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is QJJRYTCOYCESCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S3/c1-10-7-14(21-9-10)16(19)17-8-11-4-5-13(22-11)15(18)12-3-2-6-20-12/h2-7,9H,8H2,1H3,(H,17,19).
What are the key properties of 4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide?
4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 347.49 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 71803336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).