N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfanylbenzamide

C14H14BrNO2S — CID 78868085

IUPACN-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)N(C)Cc2ccc(Br)o2)cc1
InChIInChI=1S/C14H14BrNO2S/c1-16(9-11-5-8-13(15)18-11)14(17)10-3-6-12(19-2)7-4-10/h3-8H,9H2,1-2H3
InChIKeyWLDPKYMJYCGQAK-UHFFFAOYSA-N
MW340.24 g/mol
LogP4.04
Rot. Bonds4

About N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfanylbenzamide

N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfanylbenzamide (PubChem CID 78868085) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfanylbenzamide
PubChem CID78868085
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)N(C)Cc2ccc(Br)o2)cc1
InChIInChI=1S/C14H14BrNO2S/c1-16(9-11-5-8-13(15)18-11)14(17)10-3-6-12(19-2)7-4-10/h3-8H,9H2,1-2H3
InChIKeyWLDPKYMJYCGQAK-UHFFFAOYSA-N
XLogP4.04
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dibromo-N-[(5-bromofuran-2-yl)methyl]-N-methylbenzamide
CID 107980321
4-amino-N-[(5-bromofuran-2-yl)methyl]-3,5-dichloro-N-methylbenzamide
CID 82794027
1-[(5-bromofuran-2-yl)methyl]-1-methylurea
CID 131134231
N-benzyl-N-methyl-4-methylsulfanylbenzamide
CID 78791696
N-[(5-bromofuran-2-yl)methyl]-N,5-dimethylthiophene-2-carboxamide
CID 71690397
N-[(5-bromofuran-2-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
CID 71690396
3-[(5-bromofuran-2-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62232100
N-[(5-bromofuran-2-yl)methyl]-3-chloro-N-methylpropanamide
CID 60949729
3-amino-N-[(5-bromofuran-2-yl)methyl]-N,2-dimethylbenzamide
CID 61108067
3-[methyl-(4-methylsulfanylbenzoyl)amino]propanoic acid
CID 60989458
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-methylsulfanylbenzamide
CID 79384071
4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 61109003

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfanylbenzamide?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfanylbenzamide (CID 78868085) is N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfanylbenzamide?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfanylbenzamide is CSc1ccc(C(=O)N(C)Cc2ccc(Br)o2)cc1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfanylbenzamide?
The InChIKey is WLDPKYMJYCGQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-16(9-11-5-8-13(15)18-11)14(17)10-3-6-12(19-2)7-4-10/h3-8H,9H2,1-2H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfanylbenzamide?
N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfanylbenzamide has a molecular weight of 340.24 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfanylbenzamide is sourced from PubChem (CID 78868085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).