2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methylbenzamide

C14H13Br2NOS — CID 103773107

IUPAC2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NCCc2ccc(Br)s2)c1
InChIInChI=1S/C14H13Br2NOS/c1-9-2-4-12(15)11(8-9)14(18)17-7-6-10-3-5-13(16)19-10/h2-5,8H,6-7H2,1H3,(H,17,18)
InChIKeyLBFBIPUOLIVYEP-UHFFFAOYSA-N
MW403.14 g/mol
LogP4.55
Rot. Bonds4

About 2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methylbenzamide

2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methylbenzamide (PubChem CID 103773107) has the molecular formula C14H13Br2NOS and a molecular weight of 403.14 g/mol. Its IUPAC name is 2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methylbenzamide
PubChem CID103773107
Molecular FormulaC14H13Br2NOS
Molecular Weight403.14 g/mol
Exact Mass400.91
IUPAC Name2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NCCc2ccc(Br)s2)c1
InChIInChI=1S/C14H13Br2NOS/c1-9-2-4-12(15)11(8-9)14(18)17-7-6-10-3-5-13(16)19-10/h2-5,8H,6-7H2,1H3,(H,17,18)
InChIKeyLBFBIPUOLIVYEP-UHFFFAOYSA-N
XLogP4.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.14
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(5-bromothiophen-2-yl)methyl]-5-methylbenzamide
CID 80979827
2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-iodobenzamide
CID 114139345
4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-3-hydroxybenzamide
CID 103872156
2-bromo-N-(3-chloropropyl)-5-methylbenzamide
CID 81111537
2,4-diamino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide
CID 106033536
N-(4-aminobutyl)-2-bromo-5-methylbenzamide
CID 81109723
2-bromo-5-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 80957927
2-bromo-N-(6-hydroxyhexyl)-5-methylbenzamide
CID 103918853
2-bromo-N-hexyl-5-methylbenzamide
CID 80980200
2-bromo-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 80979423
2-bromo-5-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 103773108
2-bromo-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 103773544

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methylbenzamide?
The IUPAC name of 2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methylbenzamide (CID 103773107) is 2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methylbenzamide is Cc1ccc(Br)c(C(=O)NCCc2ccc(Br)s2)c1.
What is the InChIKey of 2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methylbenzamide?
The InChIKey is LBFBIPUOLIVYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NOS/c1-9-2-4-12(15)11(8-9)14(18)17-7-6-10-3-5-13(16)19-10/h2-5,8H,6-7H2,1H3,(H,17,18).
What are the key properties of 2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methylbenzamide?
2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methylbenzamide has a molecular weight of 403.14 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methylbenzamide is sourced from PubChem (CID 103773107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).