N-(2,6-dichlorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]acetamide

C14H18Cl2N2OS — CID 80723780

IUPACN-(2,6-dichlorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]acetamide
SMILESCC1(CNCC(=O)Nc2c(Cl)cccc2Cl)CCCS1
InChIInChI=1S/C14H18Cl2N2OS/c1-14(6-3-7-20-14)9-17-8-12(19)18-13-10(15)4-2-5-11(13)16/h2,4-5,17H,3,6-9H2,1H3,(H,18,19)
InChIKeyLYTUJNZUOXWQED-UHFFFAOYSA-N
MW333.28 g/mol
LogP3.81
Rot. Bonds5

About N-(2,6-dichlorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]acetamide

N-(2,6-dichlorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]acetamide (PubChem CID 80723780) has the molecular formula C14H18Cl2N2OS and a molecular weight of 333.28 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]acetamide
PubChem CID80723780
Molecular FormulaC14H18Cl2N2OS
Molecular Weight333.28 g/mol
Exact Mass332.05
IUPAC NameN-(2,6-dichlorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]acetamide
SMILESCC1(CNCC(=O)Nc2c(Cl)cccc2Cl)CCCS1
InChIInChI=1S/C14H18Cl2N2OS/c1-14(6-3-7-20-14)9-17-8-12(19)18-13-10(15)4-2-5-11(13)16/h2,4-5,17H,3,6-9H2,1H3,(H,18,19)
InChIKeyLYTUJNZUOXWQED-UHFFFAOYSA-N
XLogP3.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.28
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-nitrophenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80722454
N-(2,6-dichlorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide
CID 104760842
N-(2,6-dichlorophenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 60695302
N-[(2-methylthiolan-2-yl)methyl]-1-(2,3,6-trichlorophenyl)methanamine
CID 80726014
N-(2,6-dichlorophenyl)-2-(thian-2-ylmethylamino)acetamide
CID 80600328
2-(1-adamantylamino)-N-(2,6-dichlorophenyl)acetamide
CID 7536783
2-(2-cyclopentylethylamino)-N-(2,6-dichlorophenyl)acetamide
CID 60919366
1-(2-chloro-3-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 112652185
N-(2,6-dichlorophenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide
CID 106025192
2-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 43405213
N-(2,6-dichlorophenyl)-2-(3-hydroxypropylamino)acetamide
CID 43405278
3-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]propanamide
CID 43627349

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]acetamide (CID 80723780) is N-(2,6-dichlorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]acetamide is CC1(CNCC(=O)Nc2c(Cl)cccc2Cl)CCCS1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]acetamide?
The InChIKey is LYTUJNZUOXWQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2OS/c1-14(6-3-7-20-14)9-17-8-12(19)18-13-10(15)4-2-5-11(13)16/h2,4-5,17H,3,6-9H2,1H3,(H,18,19).
What are the key properties of N-(2,6-dichlorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]acetamide?
N-(2,6-dichlorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]acetamide has a molecular weight of 333.28 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]acetamide is sourced from PubChem (CID 80723780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).