N-[2-(2-bromophenyl)ethyl]-N-(1-phenylsulfanylpropan-2-yl)acetamide

C19H22BrNOS — CID 11326795

IUPACN-[2-(2-bromophenyl)ethyl]-N-(1-phenylsulfanylpropan-2-yl)acetamide
SMILESCC(=O)N(CCc1ccccc1Br)C(C)CSc1ccccc1
InChIInChI=1S/C19H22BrNOS/c1-15(14-23-18-9-4-3-5-10-18)21(16(2)22)13-12-17-8-6-7-11-19(17)20/h3-11,15H,12-14H2,1-2H3
InChIKeyJUOHRBXMHBICDS-UHFFFAOYSA-N
MW392.36 g/mol
LogP5.02
Rot. Bonds7

About N-[2-(2-bromophenyl)ethyl]-N-(1-phenylsulfanylpropan-2-yl)acetamide

N-[2-(2-bromophenyl)ethyl]-N-(1-phenylsulfanylpropan-2-yl)acetamide (PubChem CID 11326795) has the molecular formula C19H22BrNOS and a molecular weight of 392.36 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)ethyl]-N-(1-phenylsulfanylpropan-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)ethyl]-N-(1-phenylsulfanylpropan-2-yl)acetamide
PubChem CID11326795
Molecular FormulaC19H22BrNOS
Molecular Weight392.36 g/mol
Exact Mass391.06
IUPAC NameN-[2-(2-bromophenyl)ethyl]-N-(1-phenylsulfanylpropan-2-yl)acetamide
SMILESCC(=O)N(CCc1ccccc1Br)C(C)CSc1ccccc1
InChIInChI=1S/C19H22BrNOS/c1-15(14-23-18-9-4-3-5-10-18)21(16(2)22)13-12-17-8-6-7-11-19(17)20/h3-11,15H,12-14H2,1-2H3
InChIKeyJUOHRBXMHBICDS-UHFFFAOYSA-N
XLogP5.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.36
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-bromophenyl)ethyl-methylcarbamoyl]butanoic acid
CID 115186104
2-(2-bromophenyl)-N-(1-phenylsulfanylpropan-2-yl)acetamide
CID 11164389
(E)-4-[2-(2-bromophenyl)ethyl-methylamino]-4-oxobut-2-enoic acid
CID 115177335
1-[2-(2-bromophenyl)ethyl-methylamino]propan-2-one
CID 115235229
2-N-[2-(2-bromophenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 117040195
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(2-bromophenyl)acetamide
CID 113052708
N-[2-(2-bromophenyl)ethyl]-N-methylpropan-2-amine
CID 117044248
3-[2-(2-bromophenyl)ethyl-methylamino]-2-(methylamino)-3-oxopropanoic acid
CID 115189559
2-amino-4-[2-(2-bromophenyl)ethyl-methylamino]-4-oxobutanoic acid
CID 115181197
3-[2-(2-bromophenyl)ethyl-methylamino]-3-methylbutanoic acid
CID 117042497
N-[1-(2-bromophenyl)ethyl]-N-propylacetamide
CID 60778873
2-[3-(2-bromophenyl)propanoyl-butan-2-ylamino]acetic acid
CID 119954973

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)ethyl]-N-(1-phenylsulfanylpropan-2-yl)acetamide?
The IUPAC name of N-[2-(2-bromophenyl)ethyl]-N-(1-phenylsulfanylpropan-2-yl)acetamide (CID 11326795) is N-[2-(2-bromophenyl)ethyl]-N-(1-phenylsulfanylpropan-2-yl)acetamide.
What is the SMILES notation for N-[2-(2-bromophenyl)ethyl]-N-(1-phenylsulfanylpropan-2-yl)acetamide?
The canonical SMILES for N-[2-(2-bromophenyl)ethyl]-N-(1-phenylsulfanylpropan-2-yl)acetamide is CC(=O)N(CCc1ccccc1Br)C(C)CSc1ccccc1.
What is the InChIKey of N-[2-(2-bromophenyl)ethyl]-N-(1-phenylsulfanylpropan-2-yl)acetamide?
The InChIKey is JUOHRBXMHBICDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNOS/c1-15(14-23-18-9-4-3-5-10-18)21(16(2)22)13-12-17-8-6-7-11-19(17)20/h3-11,15H,12-14H2,1-2H3.
What are the key properties of N-[2-(2-bromophenyl)ethyl]-N-(1-phenylsulfanylpropan-2-yl)acetamide?
N-[2-(2-bromophenyl)ethyl]-N-(1-phenylsulfanylpropan-2-yl)acetamide has a molecular weight of 392.36 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)ethyl]-N-(1-phenylsulfanylpropan-2-yl)acetamide is sourced from PubChem (CID 11326795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).