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

C17H11BrClNO2S2 — CID 90612616

IUPAC5-bromo-2-chloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
SMILESO=C(c1ccsc1)c1ccc(CNC(=O)c2cc(Br)ccc2Cl)s1
InChIInChI=1S/C17H11BrClNO2S2/c18-11-1-3-14(19)13(7-11)17(22)20-8-12-2-4-15(24-12)16(21)10-5-6-23-9-10/h1-7,9H,8H2,(H,20,22)
InChIKeyZKQVRHNVXLLQIS-UHFFFAOYSA-N
MW440.77 g/mol
LogP5.39
Rot. Bonds5

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

5-bromo-2-chloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide (PubChem CID 90612616) has the molecular formula C17H11BrClNO2S2 and a molecular weight of 440.77 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
PubChem CID90612616
Molecular FormulaC17H11BrClNO2S2
Molecular Weight440.77 g/mol
Exact Mass438.91
IUPAC Name5-bromo-2-chloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
SMILESO=C(c1ccsc1)c1ccc(CNC(=O)c2cc(Br)ccc2Cl)s1
InChIInChI=1S/C17H11BrClNO2S2/c18-11-1-3-14(19)13(7-11)17(22)20-8-12-2-4-15(24-12)16(21)10-5-6-23-9-10/h1-7,9H,8H2,(H,20,22)
InChIKeyZKQVRHNVXLLQIS-UHFFFAOYSA-N
XLogP5.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.77
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612572
3,4-dichloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 72717589
4-bromo-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 72717695
2,4-difluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612528
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
2,4-dimethoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612561
3,5-dimethoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612558
N-[(2-chlorophenyl)methyl]-N'-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612780
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
2-(2-chloro-6-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]acetamide
CID 72717694

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide (CID 90612616) is 5-bromo-2-chloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide is O=C(c1ccsc1)c1ccc(CNC(=O)c2cc(Br)ccc2Cl)s1.
What is the InChIKey of 5-bromo-2-chloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide?
The InChIKey is ZKQVRHNVXLLQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrClNO2S2/c18-11-1-3-14(19)13(7-11)17(22)20-8-12-2-4-15(24-12)16(21)10-5-6-23-9-10/h1-7,9H,8H2,(H,20,22).
What are the key properties of 5-bromo-2-chloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide?
5-bromo-2-chloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide has a molecular weight of 440.77 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 90612616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).