3,5-dichloro-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cycloheptyl]benzamide

C21H26Cl2N2OS — CID 70592604

IUPAC3,5-dichloro-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cycloheptyl]benzamide
SMILESCN(Cc1cccs1)C1CCCCCC1N(C)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H26Cl2N2OS/c1-24(14-18-7-6-10-27-18)19-8-4-3-5-9-20(19)25(2)21(26)15-11-16(22)13-17(23)12-15/h6-7,10-13,19-20H,3-5,8-9,14H2,1-2H3
InChIKeyJPZVENSOGVIJNE-UHFFFAOYSA-N
MW425.43 g/mol
LogP5.96
Rot. Bonds5

About 3,5-dichloro-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cycloheptyl]benzamide

3,5-dichloro-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cycloheptyl]benzamide (PubChem CID 70592604) has the molecular formula C21H26Cl2N2OS and a molecular weight of 425.43 g/mol. Its IUPAC name is 3,5-dichloro-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cycloheptyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cycloheptyl]benzamide
PubChem CID70592604
Molecular FormulaC21H26Cl2N2OS
Molecular Weight425.43 g/mol
Exact Mass424.11
IUPAC Name3,5-dichloro-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cycloheptyl]benzamide
SMILESCN(Cc1cccs1)C1CCCCCC1N(C)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H26Cl2N2OS/c1-24(14-18-7-6-10-27-18)19-8-4-3-5-9-20(19)25(2)21(26)15-11-16(22)13-17(23)12-15/h6-7,10-13,19-20H,3-5,8-9,14H2,1-2H3
InChIKeyJPZVENSOGVIJNE-UHFFFAOYSA-N
XLogP5.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.43
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,5-dichloro-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cycloheptyl]benzamide with MolForge

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Related Compounds

4-methoxy-N-methyl-N-[(1R,2R)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexyl]benzamide
CID 54472374
2-[methyl(thiophen-2-ylmethyl)amino]cycloheptane-1-carboxylic acid
CID 55145752
trans-(1S,2S)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-ol
CID 102731893
3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 24529398
N-(2-hydroxycyclohexyl)-N-methyl-2-thiophen-2-ylacetamide
CID 56920252
N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-2-thiophen-2-ylacetamide
CID 95706035
2-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43396486
(3aS,4R,7aS)-N-methyl-N-(thiophen-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-amine
CID 124812846
N-methyl-N-(thiophen-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-amine
CID 121229731
1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 62053358
3-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methylbenzamide
CID 110143758
4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 82833096

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cycloheptyl]benzamide?
The IUPAC name of 3,5-dichloro-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cycloheptyl]benzamide (CID 70592604) is 3,5-dichloro-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cycloheptyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cycloheptyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cycloheptyl]benzamide is CN(Cc1cccs1)C1CCCCCC1N(C)C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cycloheptyl]benzamide?
The InChIKey is JPZVENSOGVIJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N2OS/c1-24(14-18-7-6-10-27-18)19-8-4-3-5-9-20(19)25(2)21(26)15-11-16(22)13-17(23)12-15/h6-7,10-13,19-20H,3-5,8-9,14H2,1-2H3.
What are the key properties of 3,5-dichloro-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cycloheptyl]benzamide?
3,5-dichloro-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cycloheptyl]benzamide has a molecular weight of 425.43 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-methyl-N-[2-[methyl(thiophen-2-ylmethyl)amino]cycloheptyl]benzamide is sourced from PubChem (CID 70592604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).