4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide

C17H18BrNO2S — CID 90610690

IUPAC4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1ccc(Br)cc1)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C17H18BrNO2S/c18-14-5-3-13(4-6-14)17(20)19(12-16-2-1-11-22-16)15-7-9-21-10-8-15/h1-6,11,15H,7-10,12H2
InChIKeyVFQYXVOFDCTNLI-UHFFFAOYSA-N
MW380.31 g/mol
LogP4.33
Rot. Bonds4

About 4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide

4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 90610690) has the molecular formula C17H18BrNO2S and a molecular weight of 380.31 g/mol. Its IUPAC name is 4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID90610690
Molecular FormulaC17H18BrNO2S
Molecular Weight380.31 g/mol
Exact Mass379.02
IUPAC Name4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(c1ccc(Br)cc1)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C17H18BrNO2S/c18-14-5-3-13(4-6-14)17(20)19(12-16-2-1-11-22-16)15-7-9-21-10-8-15/h1-6,11,15H,7-10,12H2
InChIKeyVFQYXVOFDCTNLI-UHFFFAOYSA-N
XLogP4.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 90610645
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128
3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 51889465
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 90610702
5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90610768
3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 61107791
N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 52571989
4-bromo-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 90554727
4-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide
CID 73167804
2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610659
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 90610662

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide (CID 90610690) is 4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide is O=C(c1ccc(Br)cc1)N(Cc1cccs1)C1CCOCC1.
What is the InChIKey of 4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is VFQYXVOFDCTNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2S/c18-14-5-3-13(4-6-14)17(20)19(12-16-2-1-11-22-16)15-7-9-21-10-8-15/h1-6,11,15H,7-10,12H2.
What are the key properties of 4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide?
4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 380.31 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 90610690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).