N-[(5-bromothiophen-2-yl)methyl]-3-(dimethylamino)-N-methylbenzamide

C15H17BrN2OS — CID 27839410

IUPACN-[(5-bromothiophen-2-yl)methyl]-3-(dimethylamino)-N-methylbenzamide
SMILESCN(Cc1ccc(Br)s1)C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C15H17BrN2OS/c1-17(2)12-6-4-5-11(9-12)15(19)18(3)10-13-7-8-14(16)20-13/h4-9H,10H2,1-3H3
InChIKeyFRDKYBLHQFGNKW-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.85
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-3-(dimethylamino)-N-methylbenzamide

N-[(5-bromothiophen-2-yl)methyl]-3-(dimethylamino)-N-methylbenzamide (PubChem CID 27839410) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-3-(dimethylamino)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-3-(dimethylamino)-N-methylbenzamide
PubChem CID27839410
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-3-(dimethylamino)-N-methylbenzamide
SMILESCN(Cc1ccc(Br)s1)C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C15H17BrN2OS/c1-17(2)12-6-4-5-11(9-12)15(19)18(3)10-13-7-8-14(16)20-13/h4-9H,10H2,1-3H3
InChIKeyFRDKYBLHQFGNKW-UHFFFAOYSA-N
XLogP3.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-methylbenzamide
CID 9108801
N-[(5-bromothiophen-2-yl)methyl]-N-methylnaphthalene-2-carboxamide
CID 9108829
N-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-3-carboxamide
CID 78792336
N-[3-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 27839457
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-6-(N-methylanilino)pyridine-3-carboxamide
CID 112830527
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760
N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide
CID 78768490
3-(dimethylamino)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 78781530
3-[(5-bromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
CID 43725444
methyl 5-[(5-bromothiophen-2-yl)methyl-methylcarbamoyl]thiophene-2-carboxylate
CID 47143664
N-[(5-bromothiophen-2-yl)methyl]-2,5-dichloro-N-methylbenzamide
CID 27839407
N-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 78792331

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-(dimethylamino)-N-methylbenzamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-(dimethylamino)-N-methylbenzamide (CID 27839410) is N-[(5-bromothiophen-2-yl)methyl]-3-(dimethylamino)-N-methylbenzamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-3-(dimethylamino)-N-methylbenzamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-3-(dimethylamino)-N-methylbenzamide is CN(Cc1ccc(Br)s1)C(=O)c1cccc(N(C)C)c1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-3-(dimethylamino)-N-methylbenzamide?
The InChIKey is FRDKYBLHQFGNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-17(2)12-6-4-5-11(9-12)15(19)18(3)10-13-7-8-14(16)20-13/h4-9H,10H2,1-3H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-3-(dimethylamino)-N-methylbenzamide?
N-[(5-bromothiophen-2-yl)methyl]-3-(dimethylamino)-N-methylbenzamide has a molecular weight of 353.29 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-3-(dimethylamino)-N-methylbenzamide is sourced from PubChem (CID 27839410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).