5-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]thiophene-2-carboxamide

C14H13Br2NO2S — CID 60674614

IUPAC5-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(Br)s2)cc1Br
InChIInChI=1S/C14H13Br2NO2S/c1-8(9-3-4-11(19-2)10(15)7-9)17-14(18)12-5-6-13(16)20-12/h3-8H,1-2H3,(H,17,18)
InChIKeyJEZZOMRRKUUEKG-UHFFFAOYSA-N
MW419.14 g/mol
LogP4.77
Rot. Bonds4

About 5-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]thiophene-2-carboxamide

5-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 60674614) has the molecular formula C14H13Br2NO2S and a molecular weight of 419.14 g/mol. Its IUPAC name is 5-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]thiophene-2-carboxamide
PubChem CID60674614
Molecular FormulaC14H13Br2NO2S
Molecular Weight419.14 g/mol
Exact Mass416.90
IUPAC Name5-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(Br)s2)cc1Br
InChIInChI=1S/C14H13Br2NO2S/c1-8(9-3-4-11(19-2)10(15)7-9)17-14(18)12-5-6-13(16)20-12/h3-8H,1-2H3,(H,17,18)
InChIKeyJEZZOMRRKUUEKG-UHFFFAOYSA-N
XLogP4.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.14
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 17329824
5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide
CID 47097752
N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 47119084
5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]thiophene-2-carboxamide
CID 60629480
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 8962855
2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 43713382
ethyl N-[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate
CID 8962784
ethyl N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate
CID 8962788
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-methoxypropanamide
CID 112685677
(2R)-2-[[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]-N-propan-2-ylpropanamide
CID 9001696
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-iodobenzamide
CID 60674615
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide
CID 43701574

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]thiophene-2-carboxamide (CID 60674614) is 5-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]thiophene-2-carboxamide is COc1ccc(C(C)NC(=O)c2ccc(Br)s2)cc1Br.
What is the InChIKey of 5-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is JEZZOMRRKUUEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO2S/c1-8(9-3-4-11(19-2)10(15)7-9)17-14(18)12-5-6-13(16)20-12/h3-8H,1-2H3,(H,17,18).
What are the key properties of 5-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]thiophene-2-carboxamide?
5-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 419.14 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 60674614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).