N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide

C17H18BrNOS — CID 9218856

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)N[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrNOS/c1-12-5-3-4-6-16(12)21-11-17(20)19-13(2)14-7-9-15(18)10-8-14/h3-10,13H,11H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeySWBXTIGACGIJBR-CYBMUJFWSA-N
MW364.31 g/mol
LogP4.73
Rot. Bonds5

About N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide

N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide (PubChem CID 9218856) has the molecular formula C17H18BrNOS and a molecular weight of 364.31 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
PubChem CID9218856
Molecular FormulaC17H18BrNOS
Molecular Weight364.31 g/mol
Exact Mass363.03
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)N[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrNOS/c1-12-5-3-4-6-16(12)21-11-17(20)19-13(2)14-7-9-15(18)10-8-14/h3-10,13H,11H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeySWBXTIGACGIJBR-CYBMUJFWSA-N
XLogP4.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 9330226
2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 9330230
2-(4-bromo-2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 2119755
N-[1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 47106591
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 84884812
N-[1-(4-bromophenyl)ethyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 43055140
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 51177619
2-(2,4-dimethylphenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 6915473
2-(2-amino-5-bromophenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 79519416
ethyl 2-[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]sulfanylacetate
CID 8604527
2-(2-methylphenyl)sulfanyl-N-(1-pyrimidin-4-ylethyl)acetamide
CID 45196864
N-[(2S)-1-hydroxybutan-2-yl]-2-(2-methylphenyl)sulfanylacetamide
CID 93032378

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide (CID 9218856) is N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide is Cc1ccccc1SCC(=O)N[C@H](C)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide?
The InChIKey is SWBXTIGACGIJBR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18BrNOS/c1-12-5-3-4-6-16(12)21-11-17(20)19-13(2)14-7-9-15(18)10-8-14/h3-10,13H,11H2,1-2H3,(H,19,20)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide has a molecular weight of 364.31 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 9218856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).