5-bromo-2-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide

C18H24BrClN2OS — CID 91814232

IUPAC5-bromo-2-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(C2CCSCC2)CC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C18H24BrClN2OS/c19-14-1-2-17(20)16(11-14)18(23)21-12-13-3-7-22(8-4-13)15-5-9-24-10-6-15/h1-2,11,13,15H,3-10,12H2,(H,21,23)
InChIKeyIFBPSNPFBPKACZ-UHFFFAOYSA-N
MW431.83 g/mol
LogP4.44
Rot. Bonds4

About 5-bromo-2-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide

5-bromo-2-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide (PubChem CID 91814232) has the molecular formula C18H24BrClN2OS and a molecular weight of 431.83 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide
PubChem CID91814232
Molecular FormulaC18H24BrClN2OS
Molecular Weight431.83 g/mol
Exact Mass430.05
IUPAC Name5-bromo-2-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(C2CCSCC2)CC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C18H24BrClN2OS/c19-14-1-2-17(20)16(11-14)18(23)21-12-13-3-7-22(8-4-13)15-5-9-24-10-6-15/h1-2,11,13,15H,3-10,12H2,(H,21,23)
InChIKeyIFBPSNPFBPKACZ-UHFFFAOYSA-N
XLogP4.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.83
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 38655696
4-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide
CID 146078077
5-bromo-2-hydroxy-N-(thian-4-ylmethyl)benzamide
CID 113235380
5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126328
5-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103280349
2-chloro-N-[(1-cyclopentylpiperidin-4-yl)methyl]-5-nitrobenzamide
CID 16895615
5-bromo-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 47179450
5-bromo-2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 47156896
5-bromo-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103690984
2-chloro-5-nitro-N-(thian-4-ylmethyl)benzamide
CID 115625147
2,5-dibromo-N-(cyclopropylmethyl)benzamide
CID 114369762
N-[[1-(thian-4-yl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzamide
CID 91814223

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide (CID 91814232) is 5-bromo-2-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide is O=C(NCC1CCN(C2CCSCC2)CC1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide?
The InChIKey is IFBPSNPFBPKACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrClN2OS/c19-14-1-2-17(20)16(11-14)18(23)21-12-13-3-7-22(8-4-13)15-5-9-24-10-6-15/h1-2,11,13,15H,3-10,12H2,(H,21,23).
What are the key properties of 5-bromo-2-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide?
5-bromo-2-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide has a molecular weight of 431.83 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 91814232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).