2-(4-bromophenyl)sulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide

C13H18BrNO2S — CID 78897361

IUPAC2-(4-bromophenyl)sulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide
SMILESCCN(CCO)C(=O)C(C)Sc1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO2S/c1-3-15(8-9-16)13(17)10(2)18-12-6-4-11(14)5-7-12/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyWDKZGFMNFOJNCP-UHFFFAOYSA-N
MW332.26 g/mol
LogP2.77
Rot. Bonds6

About 2-(4-bromophenyl)sulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide

2-(4-bromophenyl)sulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide (PubChem CID 78897361) has the molecular formula C13H18BrNO2S and a molecular weight of 332.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide
PubChem CID78897361
Molecular FormulaC13H18BrNO2S
Molecular Weight332.26 g/mol
Exact Mass331.02
IUPAC Name2-(4-bromophenyl)sulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide
SMILESCCN(CCO)C(=O)C(C)Sc1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO2S/c1-3-15(8-9-16)13(17)10(2)18-12-6-4-11(14)5-7-12/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyWDKZGFMNFOJNCP-UHFFFAOYSA-N
XLogP2.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115772031
(2S)-N,N-diethyl-2-phenylsulfanylpropanamide
CID 39073889
3-[2-(4-bromophenyl)sulfanylpropanoyl-methylamino]propanoic acid
CID 119232893
2-(2-amino-5-bromophenyl)sulfanyl-N,N-diethylpropanamide
CID 79533528
2-benzylsulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 78887931
2-(4-bromophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119826199
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylsulfanylpropanamide
CID 111596437
N,N-diethyl-2-[3-(hydroxymethyl)phenyl]sulfanylpropanamide
CID 66347576
3-[4-(difluoromethylsulfanyl)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110890261
2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 55874865
2-[4-[bis(2-hydroxyethyl)amino]phenyl]sulfanylpropanoate
CID 57355889
2-amino-N-ethyl-N-(2-hydroxyethyl)-2-phenylacetamide;hydrochloride
CID 110897047

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide (CID 78897361) is 2-(4-bromophenyl)sulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide is CCN(CCO)C(=O)C(C)Sc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide?
The InChIKey is WDKZGFMNFOJNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2S/c1-3-15(8-9-16)13(17)10(2)18-12-6-4-11(14)5-7-12/h4-7,10,16H,3,8-9H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide?
2-(4-bromophenyl)sulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide has a molecular weight of 332.26 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 78897361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).