(2S)-2-(4-bromophenyl)-2-(4-cyanophenyl)sulfanylacetamide

C15H11BrN2OS — CID 95333171

IUPAC(2S)-2-(4-bromophenyl)-2-(4-cyanophenyl)sulfanylacetamide
SMILESN#Cc1ccc(S[C@H](C(N)=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H11BrN2OS/c16-12-5-3-11(4-6-12)14(15(18)19)20-13-7-1-10(9-17)2-8-13/h1-8,14H,(H2,18,19)/t14-/m0/s1
InChIKeyDGDFMLSUUPDGSA-AWEZNQCLSA-N
MW347.24 g/mol
LogP3.64
Rot. Bonds4

About (2S)-2-(4-bromophenyl)-2-(4-cyanophenyl)sulfanylacetamide

(2S)-2-(4-bromophenyl)-2-(4-cyanophenyl)sulfanylacetamide (PubChem CID 95333171) has the molecular formula C15H11BrN2OS and a molecular weight of 347.24 g/mol. Its IUPAC name is (2S)-2-(4-bromophenyl)-2-(4-cyanophenyl)sulfanylacetamide.

Molecular Properties

Compound Name(2S)-2-(4-bromophenyl)-2-(4-cyanophenyl)sulfanylacetamide
PubChem CID95333171
Molecular FormulaC15H11BrN2OS
Molecular Weight347.24 g/mol
Exact Mass345.98
IUPAC Name(2S)-2-(4-bromophenyl)-2-(4-cyanophenyl)sulfanylacetamide
SMILESN#Cc1ccc(S[C@H](C(N)=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H11BrN2OS/c16-12-5-3-11(4-6-12)14(15(18)19)20-13-7-1-10(9-17)2-8-13/h1-8,14H,(H2,18,19)/t14-/m0/s1
InChIKeyDGDFMLSUUPDGSA-AWEZNQCLSA-N
XLogP3.64
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-bromophenyl)sulfanylacetyl]benzonitrile
CID 2341546
(2R)-2-(4-cyanophenyl)-2-(2-methylpropylsulfanyl)acetamide
CID 96550432
2-(4-bromophenyl)-2-cyanoacetamide
CID 122640537
(2S)-2-(4-bromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 95598663
(4-cyanophenyl) 2-(4-bromophenyl)sulfanylacetate
CID 7741385
2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-2-(4-fluorophenyl)acetamide
CID 146088281
(2R)-2-(4-cyanophenyl)-2-(3-phenylpropylsulfanyl)acetamide
CID 96550452
2-(4-cyanophenyl)sulfanylpropanoic acid
CID 43188327
4-[1-[4-(4-cyanophenyl)phenyl]sulfanyl-3-methylbutyl]benzamide
CID 141128226
4-[1-[[(1S)-1-(4-bromophenyl)ethyl]amino]ethyl]benzonitrile
CID 81359050
2-(4-bromophenyl)-2-sulfanylacetamide
CID 173431323
methyl (2R)-2-amino-2-(4-cyanophenyl)acetate
CID 58916884

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenyl)-2-(4-cyanophenyl)sulfanylacetamide?
The IUPAC name of (2S)-2-(4-bromophenyl)-2-(4-cyanophenyl)sulfanylacetamide (CID 95333171) is (2S)-2-(4-bromophenyl)-2-(4-cyanophenyl)sulfanylacetamide.
What is the SMILES notation for (2S)-2-(4-bromophenyl)-2-(4-cyanophenyl)sulfanylacetamide?
The canonical SMILES for (2S)-2-(4-bromophenyl)-2-(4-cyanophenyl)sulfanylacetamide is N#Cc1ccc(S[C@H](C(N)=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of (2S)-2-(4-bromophenyl)-2-(4-cyanophenyl)sulfanylacetamide?
The InChIKey is DGDFMLSUUPDGSA-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H11BrN2OS/c16-12-5-3-11(4-6-12)14(15(18)19)20-13-7-1-10(9-17)2-8-13/h1-8,14H,(H2,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-bromophenyl)-2-(4-cyanophenyl)sulfanylacetamide?
(2S)-2-(4-bromophenyl)-2-(4-cyanophenyl)sulfanylacetamide has a molecular weight of 347.24 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenyl)-2-(4-cyanophenyl)sulfanylacetamide is sourced from PubChem (CID 95333171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).