N-[(2-bromophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide

C15H16BrNOS — CID 60630938

IUPACN-[(2-bromophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2Br)sc1C
InChIInChI=1S/C15H16BrNOS/c1-10-8-14(19-11(10)2)15(18)17(3)9-12-6-4-5-7-13(12)16/h4-8H,9H2,1-3H3
InChIKeyUTGQVOJPAOMIDS-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.40
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide

N-[(2-bromophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide (PubChem CID 60630938) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
PubChem CID60630938
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC NameN-[(2-bromophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2Br)sc1C
InChIInChI=1S/C15H16BrNOS/c1-10-8-14(19-11(10)2)15(18)17(3)9-12-6-4-5-7-13(12)16/h4-8H,9H2,1-3H3
InChIKeyUTGQVOJPAOMIDS-UHFFFAOYSA-N
XLogP4.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide (CID 60630938) is N-[(2-bromophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide is Cc1cc(C(=O)N(C)Cc2ccccc2Br)sc1C.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide?
The InChIKey is UTGQVOJPAOMIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-10-8-14(19-11(10)2)15(18)17(3)9-12-6-4-5-7-13(12)16/h4-8H,9H2,1-3H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide?
N-[(2-bromophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide has a molecular weight of 338.27 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide is sourced from PubChem (CID 60630938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).