(2R)-2-[(4-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)propanamide

C18H20BrNOS — CID 8570825

IUPAC(2R)-2-[(4-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)[C@@H](C)SCc1ccc(Br)cc1
InChIInChI=1S/C18H20BrNOS/c1-3-15-6-4-5-7-17(15)20-18(21)13(2)22-12-14-8-10-16(19)11-9-14/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyUYWSRMWFNHHLAN-CYBMUJFWSA-N
MW378.34 g/mol
LogP5.27
Rot. Bonds6

About (2R)-2-[(4-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)propanamide

(2R)-2-[(4-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)propanamide (PubChem CID 8570825) has the molecular formula C18H20BrNOS and a molecular weight of 378.34 g/mol. Its IUPAC name is (2R)-2-[(4-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(4-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)propanamide
PubChem CID8570825
Molecular FormulaC18H20BrNOS
Molecular Weight378.34 g/mol
Exact Mass377.04
IUPAC Name(2R)-2-[(4-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)[C@@H](C)SCc1ccc(Br)cc1
InChIInChI=1S/C18H20BrNOS/c1-3-15-6-4-5-7-17(15)20-18(21)13(2)22-12-14-8-10-16(19)11-9-14/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyUYWSRMWFNHHLAN-CYBMUJFWSA-N
XLogP5.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.34
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzylsulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 2943119
2-[[(2R)-2-benzylsulfanylpropanoyl]amino]benzoic acid
CID 9349511
(2S)-2-[(4-bromophenyl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)propanamide
CID 2542823
(2S)-2-benzylsulfanyl-N-(3-bromophenyl)propanamide
CID 1095209
N-(2,3-dimethylphenyl)-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]propanamide
CID 110007006
N-(2-amino-2-oxo-1-phenylethyl)-2-[(4-bromophenyl)methylsulfanyl]propanamide
CID 17472641
2-(2-benzylsulfanylpropanoylamino)-N-propan-2-ylbenzamide
CID 55778353
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517
(2R)-2-benzylsulfanyl-N-(2-chloro-3-pyridinyl)propanamide
CID 9459475
(2R)-2-[(4-chlorophenyl)methylsulfanyl]-N-(2-nitrophenyl)propanamide
CID 8580257
2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 9039948
2-[(3-bromophenyl)methylsulfanyl]-N-(3-chloro-2-methylphenyl)propanamide
CID 47011598

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)propanamide?
The IUPAC name of (2R)-2-[(4-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)propanamide (CID 8570825) is (2R)-2-[(4-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[(4-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)propanamide?
The canonical SMILES for (2R)-2-[(4-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)propanamide is CCc1ccccc1NC(=O)[C@@H](C)SCc1ccc(Br)cc1.
What is the InChIKey of (2R)-2-[(4-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)propanamide?
The InChIKey is UYWSRMWFNHHLAN-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20BrNOS/c1-3-15-6-4-5-7-17(15)20-18(21)13(2)22-12-14-8-10-16(19)11-9-14/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-2-[(4-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)propanamide?
(2R)-2-[(4-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)propanamide has a molecular weight of 378.34 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)propanamide is sourced from PubChem (CID 8570825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).