N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide

C16H22Cl2N2OS — CID 119937394

IUPACN-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide
SMILESCC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CC1CSCCN1
InChIInChI=1S/C16H22Cl2N2OS/c1-11(2)20(9-12-3-4-14(17)15(18)7-12)16(21)8-13-10-22-6-5-19-13/h3-4,7,11,13,19H,5-6,8-10H2,1-2H3
InChIKeyHXTZHIRLVYGVAY-UHFFFAOYSA-N
MW361.34 g/mol
LogP3.83
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide

N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide (PubChem CID 119937394) has the molecular formula C16H22Cl2N2OS and a molecular weight of 361.34 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide
PubChem CID119937394
Molecular FormulaC16H22Cl2N2OS
Molecular Weight361.34 g/mol
Exact Mass360.08
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide
SMILESCC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CC1CSCCN1
InChIInChI=1S/C16H22Cl2N2OS/c1-11(2)20(9-12-3-4-14(17)15(18)7-12)16(21)8-13-10-22-6-5-19-13/h3-4,7,11,13,19H,5-6,8-10H2,1-2H3
InChIKeyHXTZHIRLVYGVAY-UHFFFAOYSA-N
XLogP3.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide 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

N-propan-2-yl-N-(pyridin-3-ylmethyl)-2-thiomorpholin-3-ylacetamide
CID 66421266
N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937832
N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935281
N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935635
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421859
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61364069
N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421258
N-[(3,4-dichlorophenyl)methyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-propan-2-ylacetamide
CID 55991186
N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936465
2-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide
CID 107904496
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119743612
N-ethyl-N-(1-methoxypropan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 66420866

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide (CID 119937394) is N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide is CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CC1CSCCN1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide?
The InChIKey is HXTZHIRLVYGVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2OS/c1-11(2)20(9-12-3-4-14(17)15(18)7-12)16(21)8-13-10-22-6-5-19-13/h3-4,7,11,13,19H,5-6,8-10H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide?
N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide has a molecular weight of 361.34 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119937394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).