4-chloro-3-hydroxy-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide

C20H25ClN2O2S — CID 23349846

IUPAC4-chloro-3-hydroxy-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide
SMILESCN(Cc1cccs1)C1CCCCC1N(C)C(=O)c1ccc(Cl)c(O)c1
InChIInChI=1S/C20H25ClN2O2S/c1-22(13-15-6-5-11-26-15)17-7-3-4-8-18(17)23(2)20(25)14-9-10-16(21)19(24)12-14/h5-6,9-12,17-18,24H,3-4,7-8,13H2,1-2H3
InChIKeyLMQUBTPSYJMLHD-UHFFFAOYSA-N
MW392.95 g/mol
LogP4.62
Rot. Bonds5

About 4-chloro-3-hydroxy-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide

4-chloro-3-hydroxy-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide (PubChem CID 23349846) has the molecular formula C20H25ClN2O2S and a molecular weight of 392.95 g/mol. Its IUPAC name is 4-chloro-3-hydroxy-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-hydroxy-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide
PubChem CID23349846
Molecular FormulaC20H25ClN2O2S
Molecular Weight392.95 g/mol
Exact Mass392.13
IUPAC Name4-chloro-3-hydroxy-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide
SMILESCN(Cc1cccs1)C1CCCCC1N(C)C(=O)c1ccc(Cl)c(O)c1
InChIInChI=1S/C20H25ClN2O2S/c1-22(13-15-6-5-11-26-15)17-7-3-4-8-18(17)23(2)20(25)14-9-10-16(21)19(24)12-14/h5-6,9-12,17-18,24H,3-4,7-8,13H2,1-2H3
InChIKeyLMQUBTPSYJMLHD-UHFFFAOYSA-N
XLogP4.62
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.95
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-hydroxy-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide?
The IUPAC name of 4-chloro-3-hydroxy-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide (CID 23349846) is 4-chloro-3-hydroxy-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide.
What is the SMILES notation for 4-chloro-3-hydroxy-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide?
The canonical SMILES for 4-chloro-3-hydroxy-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide is CN(Cc1cccs1)C1CCCCC1N(C)C(=O)c1ccc(Cl)c(O)c1.
What is the InChIKey of 4-chloro-3-hydroxy-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide?
The InChIKey is LMQUBTPSYJMLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2S/c1-22(13-15-6-5-11-26-15)17-7-3-4-8-18(17)23(2)20(25)14-9-10-16(21)19(24)12-14/h5-6,9-12,17-18,24H,3-4,7-8,13H2,1-2H3.
What are the key properties of 4-chloro-3-hydroxy-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide?
4-chloro-3-hydroxy-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide has a molecular weight of 392.95 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-hydroxy-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide is sourced from PubChem (CID 23349846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).