2-[(2-bromophenyl)methylsulfinyl]acetamide;ethane

C11H16BrNO2S — CID 91127842

IUPAC2-[(2-bromophenyl)methylsulfinyl]acetamide;ethane
SMILESCC.NC(=O)CS(=O)Cc1ccccc1Br
InChIInChI=1S/C9H10BrNO2S.C2H6/c10-8-4-2-1-3-7(8)5-14(13)6-9(11)12;1-2/h1-4H,5-6H2,(H2,11,12);1-2H3
InChIKeyDMQLAMMAOXGPBK-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.21
Rot. Bonds4

About 2-[(2-bromophenyl)methylsulfinyl]acetamide;ethane

2-[(2-bromophenyl)methylsulfinyl]acetamide;ethane (PubChem CID 91127842) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methylsulfinyl]acetamide;ethane.

Molecular Properties

Compound Name2-[(2-bromophenyl)methylsulfinyl]acetamide;ethane
PubChem CID91127842
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC Name2-[(2-bromophenyl)methylsulfinyl]acetamide;ethane
SMILESCC.NC(=O)CS(=O)Cc1ccccc1Br
InChIInChI=1S/C9H10BrNO2S.C2H6/c10-8-4-2-1-3-7(8)5-14(13)6-9(11)12;1-2/h1-4H,5-6H2,(H2,11,12);1-2H3
InChIKeyDMQLAMMAOXGPBK-UHFFFAOYSA-N
XLogP2.21
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzylsulfinylacetamide;ethane
CID 91390108
2-[(S)-[2-(4-methylsulfanylphenyl)phenyl]methylsulfinyl]acetamide
CID 129411313
2-[(2-thiophen-2-ylphenyl)methylsulfinyl]acetamide
CID 11623289
2-[[2-(4-hydroxyphenoxy)phenyl]methylsulfinyl]acetamide
CID 11515025
CID 161457541
CID 161457541
2-[(R)-(4-phenylphenyl)methylsulfinyl]acetamide
CID 129364182
2-amino-3-(2-bromophenyl)propanamide
CID 15926062
2-[(S)-[2-(cyclohepten-1-yl)phenyl]methylsulfinyl]acetamide
CID 129365022
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114
2-(2-bromophenyl)acetyl bromide
CID 87290551
(2R)-2-amino-3-(2-bromophenyl)propanoic acid
CID 7023575
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-2-ethylbutanamide
CID 113308938

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methylsulfinyl]acetamide;ethane?
The IUPAC name of 2-[(2-bromophenyl)methylsulfinyl]acetamide;ethane (CID 91127842) is 2-[(2-bromophenyl)methylsulfinyl]acetamide;ethane.
What is the SMILES notation for 2-[(2-bromophenyl)methylsulfinyl]acetamide;ethane?
The canonical SMILES for 2-[(2-bromophenyl)methylsulfinyl]acetamide;ethane is CC.NC(=O)CS(=O)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methylsulfinyl]acetamide;ethane?
The InChIKey is DMQLAMMAOXGPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2S.C2H6/c10-8-4-2-1-3-7(8)5-14(13)6-9(11)12;1-2/h1-4H,5-6H2,(H2,11,12);1-2H3.
What are the key properties of 2-[(2-bromophenyl)methylsulfinyl]acetamide;ethane?
2-[(2-bromophenyl)methylsulfinyl]acetamide;ethane has a molecular weight of 306.23 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methylsulfinyl]acetamide;ethane is sourced from PubChem (CID 91127842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).