5-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylthiophene-2-carboxamide

C14H23BrN2OS — CID 79964067

IUPAC5-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCN(C(C)C)C(C)C)sc1Br
InChIInChI=1S/C14H23BrN2OS/c1-9(2)17(10(3)4)7-6-16-14(18)12-8-11(5)13(15)19-12/h8-10H,6-7H2,1-5H3,(H,16,18)
InChIKeyJNOKRUVHMMYXIR-UHFFFAOYSA-N
MW347.32 g/mol
LogP3.67
Rot. Bonds6

About 5-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylthiophene-2-carboxamide

5-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylthiophene-2-carboxamide (PubChem CID 79964067) has the molecular formula C14H23BrN2OS and a molecular weight of 347.32 g/mol. Its IUPAC name is 5-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylthiophene-2-carboxamide
PubChem CID79964067
Molecular FormulaC14H23BrN2OS
Molecular Weight347.32 g/mol
Exact Mass346.07
IUPAC Name5-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCN(C(C)C)C(C)C)sc1Br
InChIInChI=1S/C14H23BrN2OS/c1-9(2)17(10(3)4)7-6-16-14(18)12-8-11(5)13(15)19-12/h8-10H,6-7H2,1-5H3,(H,16,18)
InChIKeyJNOKRUVHMMYXIR-UHFFFAOYSA-N
XLogP3.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-bromopropyl)-4-methylthiophene-2-carboxamide
CID 114308613
5-bromo-N-(2-chloropropyl)-4-methylthiophene-2-carboxamide
CID 114296326
5-bromo-4-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 79964430
N-(5-amino-5-oxopentyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 103896394
5-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylthiophene-2-carboxamide
CID 79965145
5-bromo-4-methyl-N-(2-thiophen-3-ylethyl)thiophene-2-carboxamide
CID 79929799
5-bromo-N-(2,2-dimethoxyethyl)-4-methylthiophene-2-carboxamide
CID 79989675
5-bromo-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-carboxamide
CID 79952577
5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide
CID 115491639
5-bromo-N-[1-(dimethylamino)propan-2-yl]-4-methylthiophene-2-carboxamide
CID 82939691
5-bromo-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 79964784
N-(3-azidopropyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79996237

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylthiophene-2-carboxamide (CID 79964067) is 5-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)NCCN(C(C)C)C(C)C)sc1Br.
What is the InChIKey of 5-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylthiophene-2-carboxamide?
The InChIKey is JNOKRUVHMMYXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2OS/c1-9(2)17(10(3)4)7-6-16-14(18)12-8-11(5)13(15)19-12/h8-10H,6-7H2,1-5H3,(H,16,18).
What are the key properties of 5-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylthiophene-2-carboxamide?
5-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylthiophene-2-carboxamide has a molecular weight of 347.32 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79964067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).