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

C15H20Cl2N2OS — CID 119938128

IUPACN-[2-(3,4-dichlorophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide
SMILESCC(C)(NC(=O)CC1CSCCN1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2N2OS/c1-15(2,10-3-4-12(16)13(17)7-10)19-14(20)8-11-9-21-6-5-18-11/h3-4,7,11,18H,5-6,8-9H2,1-2H3,(H,19,20)
InChIKeyGPSGQRQVRQVXHW-UHFFFAOYSA-N
MW347.31 g/mol
LogP3.44
Rot. Bonds4

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

N-[2-(3,4-dichlorophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119938128) has the molecular formula C15H20Cl2N2OS and a molecular weight of 347.31 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide
PubChem CID119938128
Molecular FormulaC15H20Cl2N2OS
Molecular Weight347.31 g/mol
Exact Mass346.07
IUPAC NameN-[2-(3,4-dichlorophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide
SMILESCC(C)(NC(=O)CC1CSCCN1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2N2OS/c1-15(2,10-3-4-12(16)13(17)7-10)19-14(20)8-11-9-21-6-5-18-11/h3-4,7,11,18H,5-6,8-9H2,1-2H3,(H,19,20)
InChIKeyGPSGQRQVRQVXHW-UHFFFAOYSA-N
XLogP3.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dichlorophenyl)propan-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119758543
N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119938942
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 66422398
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
CID 119938213
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 114155796
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942290
N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide
CID 119938182
3-chloro-4-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 66420522
1-(4-tert-butylphenyl)-2-thiomorpholin-3-ylethanone
CID 116586667
3-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid
CID 66420329
4-chloro-N-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 66420250

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide (CID 119938128) is N-[2-(3,4-dichlorophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide is CC(C)(NC(=O)CC1CSCCN1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is GPSGQRQVRQVXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2OS/c1-15(2,10-3-4-12(16)13(17)7-10)19-14(20)8-11-9-21-6-5-18-11/h3-4,7,11,18H,5-6,8-9H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(3,4-dichlorophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide?
N-[2-(3,4-dichlorophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 347.31 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119938128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).