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

C15H10BrNO2S3 — CID 72717695

IUPAC4-bromo-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(C(=O)c2ccsc2)s1)c1cc(Br)cs1
InChIInChI=1S/C15H10BrNO2S3/c16-10-5-13(21-8-10)15(19)17-6-11-1-2-12(22-11)14(18)9-3-4-20-7-9/h1-5,7-8H,6H2,(H,17,19)
InChIKeyMWKHZLSDIWHRLU-UHFFFAOYSA-N
MW412.36 g/mol
LogP4.79
Rot. Bonds5

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

4-bromo-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 72717695) has the molecular formula C15H10BrNO2S3 and a molecular weight of 412.36 g/mol. Its IUPAC name is 4-bromo-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide
PubChem CID72717695
Molecular FormulaC15H10BrNO2S3
Molecular Weight412.36 g/mol
Exact Mass410.91
IUPAC Name4-bromo-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(C(=O)c2ccsc2)s1)c1cc(Br)cs1
InChIInChI=1S/C15H10BrNO2S3/c16-10-5-13(21-8-10)15(19)17-6-11-1-2-12(22-11)14(18)9-3-4-20-7-9/h1-5,7-8H,6H2,(H,17,19)
InChIKeyMWKHZLSDIWHRLU-UHFFFAOYSA-N
XLogP4.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.36
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-chloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612616
4-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612500
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
3,5-dimethoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612558
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
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
N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-1H-indole-2-carboxamide
CID 90613208
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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide (CID 72717695) is 4-bromo-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide is O=C(NCc1ccc(C(=O)c2ccsc2)s1)c1cc(Br)cs1.
What is the InChIKey of 4-bromo-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is MWKHZLSDIWHRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO2S3/c16-10-5-13(21-8-10)15(19)17-6-11-1-2-12(22-11)14(18)9-3-4-20-7-9/h1-5,7-8H,6H2,(H,17,19).
What are the key properties of 4-bromo-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide?
4-bromo-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 412.36 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 72717695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).