5-bromo-4-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide

C13H20BrNO2S — CID 79964430

IUPAC5-bromo-4-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCCOCC(C)C)sc1Br
InChIInChI=1S/C13H20BrNO2S/c1-9(2)8-17-6-4-5-15-13(16)11-7-10(3)12(14)18-11/h7,9H,4-6,8H2,1-3H3,(H,15,16)
InChIKeyBKMPRWKBCOSQBP-UHFFFAOYSA-N
MW334.28 g/mol
LogP3.61
Rot. Bonds7

About 5-bromo-4-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide

5-bromo-4-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide (PubChem CID 79964430) has the molecular formula C13H20BrNO2S and a molecular weight of 334.28 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
PubChem CID79964430
Molecular FormulaC13H20BrNO2S
Molecular Weight334.28 g/mol
Exact Mass333.04
IUPAC Name5-bromo-4-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCCOCC(C)C)sc1Br
InChIInChI=1S/C13H20BrNO2S/c1-9(2)8-17-6-4-5-15-13(16)11-7-10(3)12(14)18-11/h7,9H,4-6,8H2,1-3H3,(H,15,16)
InChIKeyBKMPRWKBCOSQBP-UHFFFAOYSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-carboxamide
CID 79952577
5-bromo-N-(3-cyclohexyloxypropyl)-4-methylthiophene-2-carboxamide
CID 79987057
5-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 134055886
5-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylthiophene-2-carboxamide
CID 79965145
4-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]benzamide
CID 113338751
N-(5-amino-5-oxopentyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 103896394
5-bromo-N-(2-bromopropyl)-4-methylthiophene-2-carboxamide
CID 114308613
5-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylthiophene-2-carboxamide
CID 79964067
5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide
CID 115491639
4,5-dibromo-N-(3-butoxypropyl)thiophene-2-carboxamide
CID 27682675
N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 60715014
5-bromo-N-(2-chloropropyl)-4-methylthiophene-2-carboxamide
CID 114296326

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide (CID 79964430) is 5-bromo-4-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide is Cc1cc(C(=O)NCCCOCC(C)C)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide?
The InChIKey is BKMPRWKBCOSQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2S/c1-9(2)8-17-6-4-5-15-13(16)11-7-10(3)12(14)18-11/h7,9H,4-6,8H2,1-3H3,(H,15,16).
What are the key properties of 5-bromo-4-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide?
5-bromo-4-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide has a molecular weight of 334.28 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 79964430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).