2-bromo-5-methoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide

C15H16BrNO3S — CID 90583971

IUPAC2-bromo-5-methoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
SMILESCOc1ccc(Br)c(C(=O)NCC(OC)c2ccsc2)c1
InChIInChI=1S/C15H16BrNO3S/c1-19-11-3-4-13(16)12(7-11)15(18)17-8-14(20-2)10-5-6-21-9-10/h3-7,9,14H,8H2,1-2H3,(H,17,18)
InChIKeyOMOWTNZJNKTMCY-UHFFFAOYSA-N
MW370.27 g/mol
LogP3.64
Rot. Bonds6

About 2-bromo-5-methoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide

2-bromo-5-methoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide (PubChem CID 90583971) has the molecular formula C15H16BrNO3S and a molecular weight of 370.27 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
PubChem CID90583971
Molecular FormulaC15H16BrNO3S
Molecular Weight370.27 g/mol
Exact Mass369.00
IUPAC Name2-bromo-5-methoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
SMILESCOc1ccc(Br)c(C(=O)NCC(OC)c2ccsc2)c1
InChIInChI=1S/C15H16BrNO3S/c1-19-11-3-4-13(16)12(7-11)15(18)17-8-14(20-2)10-5-6-21-9-10/h3-7,9,14H,8H2,1-2H3,(H,17,18)
InChIKeyOMOWTNZJNKTMCY-UHFFFAOYSA-N
XLogP3.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583943
4-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 97427365
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 71804732
2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583915
N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenoxybenzamide
CID 90583960
2-ethylsulfanyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide
CID 97414435
2-bromo-5-methoxy-N-(2-methylsulfinylpropyl)benzamide
CID 115764428
2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide
CID 60748647
N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide
CID 119996618
1-[2-(4-methoxyphenyl)ethyl]-3-(2-methoxy-2-thiophen-3-ylethyl)urea
CID 71804806
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
2-bromo-5-methoxy-N-(3-methyl-2-phenylbutyl)benzamide
CID 46447047

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide (CID 90583971) is 2-bromo-5-methoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide is COc1ccc(Br)c(C(=O)NCC(OC)c2ccsc2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide?
The InChIKey is OMOWTNZJNKTMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3S/c1-19-11-3-4-13(16)12(7-11)15(18)17-8-14(20-2)10-5-6-21-9-10/h3-7,9,14H,8H2,1-2H3,(H,17,18).
What are the key properties of 2-bromo-5-methoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide?
2-bromo-5-methoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide has a molecular weight of 370.27 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 90583971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).