N-[(5-bromothiophen-2-yl)methyl]-N-methylnaphthalene-2-carboxamide

C17H14BrNOS — CID 9108829

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-methylnaphthalene-2-carboxamide
SMILESCN(Cc1ccc(Br)s1)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H14BrNOS/c1-19(11-15-8-9-16(18)21-15)17(20)14-7-6-12-4-2-3-5-13(12)10-14/h2-10H,11H2,1H3
InChIKeyIZEPDHPNRRZYGF-UHFFFAOYSA-N
MW360.28 g/mol
LogP4.94
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-N-methylnaphthalene-2-carboxamide

N-[(5-bromothiophen-2-yl)methyl]-N-methylnaphthalene-2-carboxamide (PubChem CID 9108829) has the molecular formula C17H14BrNOS and a molecular weight of 360.28 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-methylnaphthalene-2-carboxamide
PubChem CID9108829
Molecular FormulaC17H14BrNOS
Molecular Weight360.28 g/mol
Exact Mass359.00
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-methylnaphthalene-2-carboxamide
SMILESCN(Cc1ccc(Br)s1)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H14BrNOS/c1-19(11-15-8-9-16(18)21-15)17(20)14-7-6-12-4-2-3-5-13(12)10-14/h2-10H,11H2,1H3
InChIKeyIZEPDHPNRRZYGF-UHFFFAOYSA-N
XLogP4.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide
CID 9108801
N-[(5-bromothiophen-2-yl)methyl]-3-(dimethylamino)-N-methylbenzamide
CID 27839410
5-bromo-N-methyl-N-(naphthalen-2-ylmethyl)thiophene-2-carboxamide
CID 60646059
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18114829
N-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-3-carboxamide
CID 78792336
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-6-(N-methylanilino)pyridine-3-carboxamide
CID 112830527
N-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 78792331
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760
N-[(5-bromothiophen-2-yl)methyl]-4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 31792131
N-(2-hydroxyethyl)-N-methylnaphthalene-2-carboxamide
CID 39949841
N-[(5-bromothiophen-2-yl)methyl]-6-methoxy-N-methylpyridine-3-carboxamide
CID 27839528
N-[3-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 27839457

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methylnaphthalene-2-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methylnaphthalene-2-carboxamide (CID 9108829) is N-[(5-bromothiophen-2-yl)methyl]-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-methylnaphthalene-2-carboxamide is CN(Cc1ccc(Br)s1)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-methylnaphthalene-2-carboxamide?
The InChIKey is IZEPDHPNRRZYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNOS/c1-19(11-15-8-9-16(18)21-15)17(20)14-7-6-12-4-2-3-5-13(12)10-14/h2-10H,11H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-methylnaphthalene-2-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-N-methylnaphthalene-2-carboxamide has a molecular weight of 360.28 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 9108829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).