2-[(3-bromothiophen-2-yl)methylsulfinyl]-N-(2-methylpropyl)acetamide

C11H16BrNO2S2 — CID 56822265

IUPAC2-[(3-bromothiophen-2-yl)methylsulfinyl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CS(=O)Cc1sccc1Br
InChIInChI=1S/C11H16BrNO2S2/c1-8(2)5-13-11(14)7-17(15)6-10-9(12)3-4-16-10/h3-4,8H,5-7H2,1-2H3,(H,13,14)
InChIKeyOLRFOBFQWLIFTE-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.53
Rot. Bonds6

About 2-[(3-bromothiophen-2-yl)methylsulfinyl]-N-(2-methylpropyl)acetamide

2-[(3-bromothiophen-2-yl)methylsulfinyl]-N-(2-methylpropyl)acetamide (PubChem CID 56822265) has the molecular formula C11H16BrNO2S2 and a molecular weight of 338.29 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)methylsulfinyl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)methylsulfinyl]-N-(2-methylpropyl)acetamide
PubChem CID56822265
Molecular FormulaC11H16BrNO2S2
Molecular Weight338.29 g/mol
Exact Mass336.98
IUPAC Name2-[(3-bromothiophen-2-yl)methylsulfinyl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CS(=O)Cc1sccc1Br
InChIInChI=1S/C11H16BrNO2S2/c1-8(2)5-13-11(14)7-17(15)6-10-9(12)3-4-16-10/h3-4,8H,5-7H2,1-2H3,(H,13,14)
InChIKeyOLRFOBFQWLIFTE-UHFFFAOYSA-N
XLogP2.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(S)-(3,4-dichlorophenyl)methylsulfinyl]-N-(2-methylpropyl)acetamide
CID 95303463
2-(3-methylbutylsulfinyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 75381775
2-[2-(3-bromothiophen-2-yl)-2-oxoethyl]sulfinyl-N-propylacetamide
CID 114233015
N-[(3-bromothiophen-2-yl)methyl]-3,5,5-trimethylhexanamide
CID 78985808
N-[(3-bromothiophen-2-yl)methyl]-2-cyanopropanamide
CID 78996324
2-[1-[(3-bromothiophen-2-yl)methylsulfinylmethyl]cyclopropyl]acetic acid
CID 65442553
(2S)-2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methylbutanamide;hydrochloride
CID 119309779
2-(4-fluorophenyl)sulfinyl-N-(2-methylpropyl)acetamide
CID 63790699
N-[(3-bromothiophen-2-yl)methyl]-3-methylbut-2-enamide
CID 78986047
N-[(3-bromothiophen-2-yl)methyl]pentanamide
CID 78986100
3-(3-bromothiophen-2-yl)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 62725350
2-(3-bromothiophen-2-yl)-2-(2-methylpropylamino)acetic acid
CID 115380650

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)methylsulfinyl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(3-bromothiophen-2-yl)methylsulfinyl]-N-(2-methylpropyl)acetamide (CID 56822265) is 2-[(3-bromothiophen-2-yl)methylsulfinyl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)methylsulfinyl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)methylsulfinyl]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CS(=O)Cc1sccc1Br.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)methylsulfinyl]-N-(2-methylpropyl)acetamide?
The InChIKey is OLRFOBFQWLIFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S2/c1-8(2)5-13-11(14)7-17(15)6-10-9(12)3-4-16-10/h3-4,8H,5-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[(3-bromothiophen-2-yl)methylsulfinyl]-N-(2-methylpropyl)acetamide?
2-[(3-bromothiophen-2-yl)methylsulfinyl]-N-(2-methylpropyl)acetamide has a molecular weight of 338.29 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)methylsulfinyl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 56822265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).