2-[(R)-(5-bromothiophen-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide

C12H12BrNO2S3 — CID 95064233

IUPAC2-[(R)-(5-bromothiophen-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(C[S@](=O)Cc1csc(Br)c1)NCc1cccs1
InChIInChI=1S/C12H12BrNO2S3/c13-11-4-9(6-18-11)7-19(16)8-12(15)14-5-10-2-1-3-17-10/h1-4,6H,5,7-8H2,(H,14,15)/t19-/m1/s1
InChIKeyFWZJOHQDQHZWOO-LJQANCHMSA-N
MW378.34 g/mol
LogP3.14
Rot. Bonds6

About 2-[(R)-(5-bromothiophen-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide

2-[(R)-(5-bromothiophen-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 95064233) has the molecular formula C12H12BrNO2S3 and a molecular weight of 378.34 g/mol. Its IUPAC name is 2-[(R)-(5-bromothiophen-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(R)-(5-bromothiophen-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID95064233
Molecular FormulaC12H12BrNO2S3
Molecular Weight378.34 g/mol
Exact Mass376.92
IUPAC Name2-[(R)-(5-bromothiophen-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(C[S@](=O)Cc1csc(Br)c1)NCc1cccs1
InChIInChI=1S/C12H12BrNO2S3/c13-11-4-9(6-18-11)7-19(16)8-12(15)14-5-10-2-1-3-17-10/h1-4,6H,5,7-8H2,(H,14,15)/t19-/m1/s1
InChIKeyFWZJOHQDQHZWOO-LJQANCHMSA-N
XLogP3.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(S)-(2-propyl-1,3-thiazol-4-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide
CID 95321246
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
2-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 78806113
2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide
CID 20860510
2-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 2675121
3-(5-bromo-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)propanamide
CID 86822713
2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 2520951
3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 1246126
2-(2-bromoanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 33161762
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 2110784

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(5-bromothiophen-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(R)-(5-bromothiophen-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide (CID 95064233) is 2-[(R)-(5-bromothiophen-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(R)-(5-bromothiophen-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(R)-(5-bromothiophen-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide is O=C(C[S@](=O)Cc1csc(Br)c1)NCc1cccs1.
What is the InChIKey of 2-[(R)-(5-bromothiophen-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is FWZJOHQDQHZWOO-LJQANCHMSA-N. The full InChI is InChI=1S/C12H12BrNO2S3/c13-11-4-9(6-18-11)7-19(16)8-12(15)14-5-10-2-1-3-17-10/h1-4,6H,5,7-8H2,(H,14,15)/t19-/m1/s1.
What are the key properties of 2-[(R)-(5-bromothiophen-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(R)-(5-bromothiophen-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 378.34 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(5-bromothiophen-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 95064233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).