5-bromo-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]thiophene-3-carboxamide

C16H18BrNO3S — CID 78878462

IUPAC5-bromo-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]thiophene-3-carboxamide
SMILESCOc1cc(C)c(C(C)NC(=O)c2csc(Br)c2)cc1OC
InChIInChI=1S/C16H18BrNO3S/c1-9-5-13(20-3)14(21-4)7-12(9)10(2)18-16(19)11-6-15(17)22-8-11/h5-8,10H,1-4H3,(H,18,19)
InChIKeyMSQGPNZPTQGZOS-UHFFFAOYSA-N
MW384.30 g/mol
LogP4.33
Rot. Bonds5

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

5-bromo-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]thiophene-3-carboxamide (PubChem CID 78878462) has the molecular formula C16H18BrNO3S and a molecular weight of 384.30 g/mol. Its IUPAC name is 5-bromo-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]thiophene-3-carboxamide
PubChem CID78878462
Molecular FormulaC16H18BrNO3S
Molecular Weight384.30 g/mol
Exact Mass383.02
IUPAC Name5-bromo-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]thiophene-3-carboxamide
SMILESCOc1cc(C)c(C(C)NC(=O)c2csc(Br)c2)cc1OC
InChIInChI=1S/C16H18BrNO3S/c1-9-5-13(20-3)14(21-4)7-12(9)10(2)18-16(19)11-6-15(17)22-8-11/h5-8,10H,1-4H3,(H,18,19)
InChIKeyMSQGPNZPTQGZOS-UHFFFAOYSA-N
XLogP4.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 46465379
3,4-dichloro-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]benzamide
CID 46485734
methyl 2-[(5-bromothiophene-3-carbonyl)amino]propanoate
CID 60735474
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 78875284
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide
CID 46485721
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133186104
5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide
CID 47159789
5-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide
CID 47027992
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119720202
5-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-carboxamide
CID 61343707
5-bromo-N-(1-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 55209412
N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-3-carboxamide
CID 114020924

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]thiophene-3-carboxamide (CID 78878462) is 5-bromo-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]thiophene-3-carboxamide is COc1cc(C)c(C(C)NC(=O)c2csc(Br)c2)cc1OC.
What is the InChIKey of 5-bromo-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]thiophene-3-carboxamide?
The InChIKey is MSQGPNZPTQGZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3S/c1-9-5-13(20-3)14(21-4)7-12(9)10(2)18-16(19)11-6-15(17)22-8-11/h5-8,10H,1-4H3,(H,18,19).
What are the key properties of 5-bromo-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]thiophene-3-carboxamide?
5-bromo-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]thiophene-3-carboxamide has a molecular weight of 384.30 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 78878462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).