3-bromo-N-[2-(3-bromophenyl)-2-methylpropyl]thiophene-2-carboxamide

C15H15Br2NOS — CID 60621665

IUPAC3-bromo-N-[2-(3-bromophenyl)-2-methylpropyl]thiophene-2-carboxamide
SMILESCC(C)(CNC(=O)c1sccc1Br)c1cccc(Br)c1
InChIInChI=1S/C15H15Br2NOS/c1-15(2,10-4-3-5-11(16)8-10)9-18-14(19)13-12(17)6-7-20-13/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyVUFCSPTXZVZMFW-UHFFFAOYSA-N
MW417.17 g/mol
LogP4.98
Rot. Bonds4

About 3-bromo-N-[2-(3-bromophenyl)-2-methylpropyl]thiophene-2-carboxamide

3-bromo-N-[2-(3-bromophenyl)-2-methylpropyl]thiophene-2-carboxamide (PubChem CID 60621665) has the molecular formula C15H15Br2NOS and a molecular weight of 417.17 g/mol. Its IUPAC name is 3-bromo-N-[2-(3-bromophenyl)-2-methylpropyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[2-(3-bromophenyl)-2-methylpropyl]thiophene-2-carboxamide
PubChem CID60621665
Molecular FormulaC15H15Br2NOS
Molecular Weight417.17 g/mol
Exact Mass414.92
IUPAC Name3-bromo-N-[2-(3-bromophenyl)-2-methylpropyl]thiophene-2-carboxamide
SMILESCC(C)(CNC(=O)c1sccc1Br)c1cccc(Br)c1
InChIInChI=1S/C15H15Br2NOS/c1-15(2,10-4-3-5-11(16)8-10)9-18-14(19)13-12(17)6-7-20-13/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyVUFCSPTXZVZMFW-UHFFFAOYSA-N
XLogP4.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.17
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(3-bromophenyl)-2-methylpropyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[2-(3-bromophenyl)-2-methylpropyl]thiophene-2-carboxamide (CID 60621665) is 3-bromo-N-[2-(3-bromophenyl)-2-methylpropyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[2-(3-bromophenyl)-2-methylpropyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[2-(3-bromophenyl)-2-methylpropyl]thiophene-2-carboxamide is CC(C)(CNC(=O)c1sccc1Br)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(3-bromophenyl)-2-methylpropyl]thiophene-2-carboxamide?
The InChIKey is VUFCSPTXZVZMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NOS/c1-15(2,10-4-3-5-11(16)8-10)9-18-14(19)13-12(17)6-7-20-13/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 3-bromo-N-[2-(3-bromophenyl)-2-methylpropyl]thiophene-2-carboxamide?
3-bromo-N-[2-(3-bromophenyl)-2-methylpropyl]thiophene-2-carboxamide has a molecular weight of 417.17 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(3-bromophenyl)-2-methylpropyl]thiophene-2-carboxamide is sourced from PubChem (CID 60621665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).