N-[3-[benzyl(methyl)amino]propyl]-5-[(4-bromophenyl)sulfinylmethyl]furan-2-carboxamide

C23H25BrN2O3S — CID 22554639

IUPACN-[3-[benzyl(methyl)amino]propyl]-5-[(4-bromophenyl)sulfinylmethyl]furan-2-carboxamide
SMILESCN(CCCNC(=O)c1ccc(CS(=O)c2ccc(Br)cc2)o1)Cc1ccccc1
InChIInChI=1S/C23H25BrN2O3S/c1-26(16-18-6-3-2-4-7-18)15-5-14-25-23(27)22-13-10-20(29-22)17-30(28)21-11-8-19(24)9-12-21/h2-4,6-13H,5,14-17H2,1H3,(H,25,27)
InChIKeyQLFGIQFTGITXLP-UHFFFAOYSA-N
MW489.44 g/mol
LogP4.60
Rot. Bonds10

About N-[3-[benzyl(methyl)amino]propyl]-5-[(4-bromophenyl)sulfinylmethyl]furan-2-carboxamide

N-[3-[benzyl(methyl)amino]propyl]-5-[(4-bromophenyl)sulfinylmethyl]furan-2-carboxamide (PubChem CID 22554639) has the molecular formula C23H25BrN2O3S and a molecular weight of 489.44 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-5-[(4-bromophenyl)sulfinylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-5-[(4-bromophenyl)sulfinylmethyl]furan-2-carboxamide
PubChem CID22554639
Molecular FormulaC23H25BrN2O3S
Molecular Weight489.44 g/mol
Exact Mass488.08
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-5-[(4-bromophenyl)sulfinylmethyl]furan-2-carboxamide
SMILESCN(CCCNC(=O)c1ccc(CS(=O)c2ccc(Br)cc2)o1)Cc1ccccc1
InChIInChI=1S/C23H25BrN2O3S/c1-26(16-18-6-3-2-4-7-18)15-5-14-25-23(27)22-13-10-20(29-22)17-30(28)21-11-8-19(24)9-12-21/h2-4,6-13H,5,14-17H2,1H3,(H,25,27)
InChIKeyQLFGIQFTGITXLP-UHFFFAOYSA-N
XLogP4.60
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[benzyl(methyl)amino]propyl]-5-[(4-bromophenyl)sulfinylmethyl]furan-2-carboxamide 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

N-[3-[benzyl(methyl)amino]propyl]-5-[(4-fluorophenyl)sulfinylmethyl]furan-2-carboxamide
CID 20899287
5-[(4-bromophenyl)sulfinylmethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 20859545
N-[2-(dimethylamino)ethyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554744
5-[(4-bromophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 45106543
N-[(3-bromophenyl)methyl]-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554736
5-(benzenesulfinylmethyl)-N-[2-(4-chlorophenyl)ethyl]furan-2-carboxamide
CID 20859472
N-[(2-bromophenyl)methyl]-5-[[(R)-(4-fluorophenyl)sulfinyl]methyl]furan-2-carboxamide
CID 92687530
N-[(3-bromophenyl)methyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554770
N-[3-[benzyl(methyl)amino]propyl]-2-(4-bromophenoxy)acetamide
CID 41306516
N-butyl-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554431
5-[(4-methoxyphenyl)sulfinylmethyl]-N-(2-thiophen-2-ylethyl)furan-2-carboxamide
CID 22554763
5-(benzenesulfinylmethyl)-N-[3-(3-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 20859479

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-5-[(4-bromophenyl)sulfinylmethyl]furan-2-carboxamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-5-[(4-bromophenyl)sulfinylmethyl]furan-2-carboxamide (CID 22554639) is N-[3-[benzyl(methyl)amino]propyl]-5-[(4-bromophenyl)sulfinylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-5-[(4-bromophenyl)sulfinylmethyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-5-[(4-bromophenyl)sulfinylmethyl]furan-2-carboxamide is CN(CCCNC(=O)c1ccc(CS(=O)c2ccc(Br)cc2)o1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-5-[(4-bromophenyl)sulfinylmethyl]furan-2-carboxamide?
The InChIKey is QLFGIQFTGITXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN2O3S/c1-26(16-18-6-3-2-4-7-18)15-5-14-25-23(27)22-13-10-20(29-22)17-30(28)21-11-8-19(24)9-12-21/h2-4,6-13H,5,14-17H2,1H3,(H,25,27).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-5-[(4-bromophenyl)sulfinylmethyl]furan-2-carboxamide?
N-[3-[benzyl(methyl)amino]propyl]-5-[(4-bromophenyl)sulfinylmethyl]furan-2-carboxamide has a molecular weight of 489.44 g/mol, XLogP of 4.60, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-5-[(4-bromophenyl)sulfinylmethyl]furan-2-carboxamide is sourced from PubChem (CID 22554639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).