N-(2,6-dichlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propanamide

C15H16Cl2N2OS — CID 24589294

IUPACN-(2,6-dichlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propanamide
SMILESCN(CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccsc1
InChIInChI=1S/C15H16Cl2N2OS/c1-19(9-11-6-8-21-10-11)7-5-14(20)18-15-12(16)3-2-4-13(15)17/h2-4,6,8,10H,5,7,9H2,1H3,(H,18,20)
InChIKeyZBMRNWBYZIDQCY-UHFFFAOYSA-N
MW343.28 g/mol
LogP4.52
Rot. Bonds6

About N-(2,6-dichlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propanamide

N-(2,6-dichlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propanamide (PubChem CID 24589294) has the molecular formula C15H16Cl2N2OS and a molecular weight of 343.28 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propanamide
PubChem CID24589294
Molecular FormulaC15H16Cl2N2OS
Molecular Weight343.28 g/mol
Exact Mass342.04
IUPAC NameN-(2,6-dichlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propanamide
SMILESCN(CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccsc1
InChIInChI=1S/C15H16Cl2N2OS/c1-19(9-11-6-8-21-10-11)7-5-14(20)18-15-12(16)3-2-4-13(15)17/h2-4,6,8,10H,5,7,9H2,1H3,(H,18,20)
InChIKeyZBMRNWBYZIDQCY-UHFFFAOYSA-N
XLogP4.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propanamide (CID 24589294) is N-(2,6-dichlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propanamide is CN(CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccsc1.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propanamide?
The InChIKey is ZBMRNWBYZIDQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2OS/c1-19(9-11-6-8-21-10-11)7-5-14(20)18-15-12(16)3-2-4-13(15)17/h2-4,6,8,10H,5,7,9H2,1H3,(H,18,20).
What are the key properties of N-(2,6-dichlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propanamide?
N-(2,6-dichlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propanamide has a molecular weight of 343.28 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propanamide is sourced from PubChem (CID 24589294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).