4-[(5-bromothiophen-2-yl)methylamino]-N-prop-2-enylbenzamide

C15H15BrN2OS — CID 60931989

IUPAC4-[(5-bromothiophen-2-yl)methylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NCc2ccc(Br)s2)cc1
InChIInChI=1S/C15H15BrN2OS/c1-2-9-17-15(19)11-3-5-12(6-4-11)18-10-13-7-8-14(16)20-13/h2-8,18H,1,9-10H2,(H,17,19)
InChIKeyXOLSMDYFUMCYGY-UHFFFAOYSA-N
MW351.27 g/mol
LogP4.04
Rot. Bonds6

About 4-[(5-bromothiophen-2-yl)methylamino]-N-prop-2-enylbenzamide

4-[(5-bromothiophen-2-yl)methylamino]-N-prop-2-enylbenzamide (PubChem CID 60931989) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is 4-[(5-bromothiophen-2-yl)methylamino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-[(5-bromothiophen-2-yl)methylamino]-N-prop-2-enylbenzamide
PubChem CID60931989
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC Name4-[(5-bromothiophen-2-yl)methylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NCc2ccc(Br)s2)cc1
InChIInChI=1S/C15H15BrN2OS/c1-2-9-17-15(19)11-3-5-12(6-4-11)18-10-13-7-8-14(16)20-13/h2-8,18H,1,9-10H2,(H,17,19)
InChIKeyXOLSMDYFUMCYGY-UHFFFAOYSA-N
XLogP4.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(5-bromothiophen-2-yl)methylamino]-N-ethylbenzamide
CID 43728545
4-[(4-bromo-5-methylthiophen-2-yl)methylamino]-N-prop-2-enylbenzamide
CID 102834570
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
4-[(2-fluorophenyl)methylamino]-N-prop-2-enylbenzamide
CID 60931867
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(ethylamino)benzamide
CID 106050450
4-hydrazinyl-N-prop-2-enylbenzamide
CID 138742315
5-chloro-N-[4-(prop-2-enylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617648
4-[(2-amino-2-methylpropanoyl)amino]-N-prop-2-enylbenzamide
CID 61267193
4-(3,3-dimethylbutylamino)-N-prop-2-enylbenzamide
CID 55156001
4-formamido-N-prop-2-enylbenzamide
CID 64992358
4-[(2,2-difluoroacetyl)amino]-N-prop-2-enylbenzamide
CID 103515175
4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043595

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromothiophen-2-yl)methylamino]-N-prop-2-enylbenzamide?
The IUPAC name of 4-[(5-bromothiophen-2-yl)methylamino]-N-prop-2-enylbenzamide (CID 60931989) is 4-[(5-bromothiophen-2-yl)methylamino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-[(5-bromothiophen-2-yl)methylamino]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-[(5-bromothiophen-2-yl)methylamino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(NCc2ccc(Br)s2)cc1.
What is the InChIKey of 4-[(5-bromothiophen-2-yl)methylamino]-N-prop-2-enylbenzamide?
The InChIKey is XOLSMDYFUMCYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c1-2-9-17-15(19)11-3-5-12(6-4-11)18-10-13-7-8-14(16)20-13/h2-8,18H,1,9-10H2,(H,17,19).
What are the key properties of 4-[(5-bromothiophen-2-yl)methylamino]-N-prop-2-enylbenzamide?
4-[(5-bromothiophen-2-yl)methylamino]-N-prop-2-enylbenzamide has a molecular weight of 351.27 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromothiophen-2-yl)methylamino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 60931989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).