5-bromo-N-(3,4,5-trimethoxyphenyl)thiophene-3-carboxamide

C14H14BrNO4S — CID 43424437

IUPAC5-bromo-N-(3,4,5-trimethoxyphenyl)thiophene-3-carboxamide
SMILESCOc1cc(NC(=O)c2csc(Br)c2)cc(OC)c1OC
InChIInChI=1S/C14H14BrNO4S/c1-18-10-5-9(6-11(19-2)13(10)20-3)16-14(17)8-4-12(15)21-7-8/h4-7H,1-3H3,(H,16,17)
InChIKeyYKTCJXQGZBXWDM-UHFFFAOYSA-N
MW372.24 g/mol
LogP3.79
Rot. Bonds5

About 5-bromo-N-(3,4,5-trimethoxyphenyl)thiophene-3-carboxamide

5-bromo-N-(3,4,5-trimethoxyphenyl)thiophene-3-carboxamide (PubChem CID 43424437) has the molecular formula C14H14BrNO4S and a molecular weight of 372.24 g/mol. Its IUPAC name is 5-bromo-N-(3,4,5-trimethoxyphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3,4,5-trimethoxyphenyl)thiophene-3-carboxamide
PubChem CID43424437
Molecular FormulaC14H14BrNO4S
Molecular Weight372.24 g/mol
Exact Mass370.98
IUPAC Name5-bromo-N-(3,4,5-trimethoxyphenyl)thiophene-3-carboxamide
SMILESCOc1cc(NC(=O)c2csc(Br)c2)cc(OC)c1OC
InChIInChI=1S/C14H14BrNO4S/c1-18-10-5-9(6-11(19-2)13(10)20-3)16-14(17)8-4-12(15)21-7-8/h4-7H,1-3H3,(H,16,17)
InChIKeyYKTCJXQGZBXWDM-UHFFFAOYSA-N
XLogP3.79
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.24
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-3-carboxamide
CID 63999218
5-bromo-N-(3-fluoro-4-methoxyphenyl)thiophene-3-carboxamide
CID 43612160
2-bromo-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 117087526
5-bromo-N-(3,5-difluorophenyl)thiophene-3-carboxamide
CID 39642819
5-bromo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 1267701
3-bromo-5-fluoro-N-(3,4,5-trimethoxyphenyl)benzamide
CID 110426879
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
3,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26102136
5-bromo-N-[4-[(2-methoxyacetyl)amino]phenyl]thiophene-3-carboxamide
CID 37436093
N-(3,4,5-trimethoxyphenyl)naphthalene-2-carboxamide
CID 7741667
N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 2488235
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,4,5-trimethoxyphenyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(3,4,5-trimethoxyphenyl)thiophene-3-carboxamide (CID 43424437) is 5-bromo-N-(3,4,5-trimethoxyphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3,4,5-trimethoxyphenyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3,4,5-trimethoxyphenyl)thiophene-3-carboxamide is COc1cc(NC(=O)c2csc(Br)c2)cc(OC)c1OC.
What is the InChIKey of 5-bromo-N-(3,4,5-trimethoxyphenyl)thiophene-3-carboxamide?
The InChIKey is YKTCJXQGZBXWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO4S/c1-18-10-5-9(6-11(19-2)13(10)20-3)16-14(17)8-4-12(15)21-7-8/h4-7H,1-3H3,(H,16,17).
What are the key properties of 5-bromo-N-(3,4,5-trimethoxyphenyl)thiophene-3-carboxamide?
5-bromo-N-(3,4,5-trimethoxyphenyl)thiophene-3-carboxamide has a molecular weight of 372.24 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,4,5-trimethoxyphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 43424437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).