N-[1-(2-bromophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide

C15H21BrN2OS — CID 119940274

IUPACN-[1-(2-bromophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide
SMILESCC(Cc1ccccc1Br)NC(=O)CC1CSCCN1
InChIInChI=1S/C15H21BrN2OS/c1-11(8-12-4-2-3-5-14(12)16)18-15(19)9-13-10-20-7-6-17-13/h2-5,11,13,17H,6-10H2,1H3,(H,18,19)
InChIKeyNACTUPAOTAVKGH-UHFFFAOYSA-N
MW357.32 g/mol
LogP2.59
Rot. Bonds5

About N-[1-(2-bromophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide

N-[1-(2-bromophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119940274) has the molecular formula C15H21BrN2OS and a molecular weight of 357.32 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide
PubChem CID119940274
Molecular FormulaC15H21BrN2OS
Molecular Weight357.32 g/mol
Exact Mass356.06
IUPAC NameN-[1-(2-bromophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide
SMILESCC(Cc1ccccc1Br)NC(=O)CC1CSCCN1
InChIInChI=1S/C15H21BrN2OS/c1-11(8-12-4-2-3-5-14(12)16)18-15(19)9-13-10-20-7-6-17-13/h2-5,11,13,17H,6-10H2,1H3,(H,18,19)
InChIKeyNACTUPAOTAVKGH-UHFFFAOYSA-N
XLogP2.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-fluorophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119936755
N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420296
N-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81375971
N-[2-methyl-1-(2-methylphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939067
N-[1-(2-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935389
2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]acetic acid
CID 66422867
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935675
N-(1,2-diphenylethyl)-2-thiomorpholin-3-ylacetamide
CID 119935530
N-(5,5-dimethylhexan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939591
N-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 119935410
methyl 2-methyl-3-phenyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanoate
CID 119940444
N-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66421005

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[1-(2-bromophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide (CID 119940274) is N-[1-(2-bromophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[1-(2-bromophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[1-(2-bromophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide is CC(Cc1ccccc1Br)NC(=O)CC1CSCCN1.
What is the InChIKey of N-[1-(2-bromophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is NACTUPAOTAVKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2OS/c1-11(8-12-4-2-3-5-14(12)16)18-15(19)9-13-10-20-7-6-17-13/h2-5,11,13,17H,6-10H2,1H3,(H,18,19).
What are the key properties of N-[1-(2-bromophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide?
N-[1-(2-bromophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 357.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)propan-2-yl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119940274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).