N-(3-bromopropyl)-N-cyclobutyl-3-methylthiophene-2-carboxamide

C13H18BrNOS — CID 102872297

IUPACN-(3-bromopropyl)-N-cyclobutyl-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(CCCBr)C1CCC1
InChIInChI=1S/C13H18BrNOS/c1-10-6-9-17-12(10)13(16)15(8-3-7-14)11-4-2-5-11/h6,9,11H,2-5,7-8H2,1H3
InChIKeyZIQBHOCDBCWQSA-UHFFFAOYSA-N
MW316.26 g/mol
LogP3.84
Rot. Bonds5

About N-(3-bromopropyl)-N-cyclobutyl-3-methylthiophene-2-carboxamide

N-(3-bromopropyl)-N-cyclobutyl-3-methylthiophene-2-carboxamide (PubChem CID 102872297) has the molecular formula C13H18BrNOS and a molecular weight of 316.26 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-cyclobutyl-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-cyclobutyl-3-methylthiophene-2-carboxamide
PubChem CID102872297
Molecular FormulaC13H18BrNOS
Molecular Weight316.26 g/mol
Exact Mass315.03
IUPAC NameN-(3-bromopropyl)-N-cyclobutyl-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(CCCBr)C1CCC1
InChIInChI=1S/C13H18BrNOS/c1-10-6-9-17-12(10)13(16)15(8-3-7-14)11-4-2-5-11/h6,9,11H,2-5,7-8H2,1H3
InChIKeyZIQBHOCDBCWQSA-UHFFFAOYSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-N-(2-hydroxyethyl)-3-methylthiophene-2-carboxamide
CID 54994213
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-methylthiophene-2-carboxamide
CID 54996464
3-methyl-N-piperidin-3-yl-N-propylthiophene-2-carboxamide
CID 63636574
N-cyclobutyl-3-ethyl-N-(3-hydroxypropyl)thiophene-2-carboxamide
CID 102867056
N-(2-bromoethyl)-3-chloro-N-cyclohexylthiophene-2-carboxamide
CID 80659701
N-(2-bromoethyl)-N-cyclohexyl-3-methoxythiophene-2-carboxamide
CID 81129770
N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 102872326
N-(3-bromopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide
CID 102872443
N-(3-bromopropyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide
CID 106754316
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-methylthiophene-2-carboxamide
CID 103405905
3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
CID 63797804
N-(3-bromopropyl)-N-cyclobutyl-2-methyl-6-nitrobenzamide
CID 102872397

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-3-methylthiophene-2-carboxamide (CID 102872297) is N-(3-bromopropyl)-N-cyclobutyl-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-bromopropyl)-N-cyclobutyl-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-bromopropyl)-N-cyclobutyl-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)N(CCCBr)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-N-cyclobutyl-3-methylthiophene-2-carboxamide?
The InChIKey is ZIQBHOCDBCWQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNOS/c1-10-6-9-17-12(10)13(16)15(8-3-7-14)11-4-2-5-11/h6,9,11H,2-5,7-8H2,1H3.
What are the key properties of N-(3-bromopropyl)-N-cyclobutyl-3-methylthiophene-2-carboxamide?
N-(3-bromopropyl)-N-cyclobutyl-3-methylthiophene-2-carboxamide has a molecular weight of 316.26 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-cyclobutyl-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 102872297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).