2-[(3-bromophenyl)methylsulfanyl]-N-(3-cyanothiophen-2-yl)acetamide

C14H11BrN2OS2 — CID 8897928

IUPAC2-[(3-bromophenyl)methylsulfanyl]-N-(3-cyanothiophen-2-yl)acetamide
SMILESN#Cc1ccsc1NC(=O)CSCc1cccc(Br)c1
InChIInChI=1S/C14H11BrN2OS2/c15-12-3-1-2-10(6-12)8-19-9-13(18)17-14-11(7-16)4-5-20-14/h1-6H,8-9H2,(H,17,18)
InChIKeyQOCQVEUSZOTYLC-UHFFFAOYSA-N
MW367.29 g/mol
LogP4.25
Rot. Bonds5

About 2-[(3-bromophenyl)methylsulfanyl]-N-(3-cyanothiophen-2-yl)acetamide

2-[(3-bromophenyl)methylsulfanyl]-N-(3-cyanothiophen-2-yl)acetamide (PubChem CID 8897928) has the molecular formula C14H11BrN2OS2 and a molecular weight of 367.29 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methylsulfanyl]-N-(3-cyanothiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methylsulfanyl]-N-(3-cyanothiophen-2-yl)acetamide
PubChem CID8897928
Molecular FormulaC14H11BrN2OS2
Molecular Weight367.29 g/mol
Exact Mass365.95
IUPAC Name2-[(3-bromophenyl)methylsulfanyl]-N-(3-cyanothiophen-2-yl)acetamide
SMILESN#Cc1ccsc1NC(=O)CSCc1cccc(Br)c1
InChIInChI=1S/C14H11BrN2OS2/c15-12-3-1-2-10(6-12)8-19-9-13(18)17-14-11(7-16)4-5-20-14/h1-6H,8-9H2,(H,17,18)
InChIKeyQOCQVEUSZOTYLC-UHFFFAOYSA-N
XLogP4.25
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methylsulfanyl]-N-(3-cyanothiophen-2-yl)acetamide?
The IUPAC name of 2-[(3-bromophenyl)methylsulfanyl]-N-(3-cyanothiophen-2-yl)acetamide (CID 8897928) is 2-[(3-bromophenyl)methylsulfanyl]-N-(3-cyanothiophen-2-yl)acetamide.
What is the SMILES notation for 2-[(3-bromophenyl)methylsulfanyl]-N-(3-cyanothiophen-2-yl)acetamide?
The canonical SMILES for 2-[(3-bromophenyl)methylsulfanyl]-N-(3-cyanothiophen-2-yl)acetamide is N#Cc1ccsc1NC(=O)CSCc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methylsulfanyl]-N-(3-cyanothiophen-2-yl)acetamide?
The InChIKey is QOCQVEUSZOTYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2OS2/c15-12-3-1-2-10(6-12)8-19-9-13(18)17-14-11(7-16)4-5-20-14/h1-6H,8-9H2,(H,17,18).
What are the key properties of 2-[(3-bromophenyl)methylsulfanyl]-N-(3-cyanothiophen-2-yl)acetamide?
2-[(3-bromophenyl)methylsulfanyl]-N-(3-cyanothiophen-2-yl)acetamide has a molecular weight of 367.29 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methylsulfanyl]-N-(3-cyanothiophen-2-yl)acetamide is sourced from PubChem (CID 8897928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).