5-(benzenesulfonylmethyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide

C23H25N3O4S — CID 46807132

IUPAC5-(benzenesulfonylmethyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCN1CCN(c2ccccc2NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)CC1
InChIInChI=1S/C23H25N3O4S/c1-25-13-15-26(16-14-25)21-10-6-5-9-20(21)24-23(27)22-12-11-18(30-22)17-31(28,29)19-7-3-2-4-8-19/h2-12H,13-17H2,1H3,(H,24,27)
InChIKeyKZAATXWBAVOBCW-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.26
Rot. Bonds6

About 5-(benzenesulfonylmethyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide

5-(benzenesulfonylmethyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide (PubChem CID 46807132) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
PubChem CID46807132
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name5-(benzenesulfonylmethyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCN1CCN(c2ccccc2NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)CC1
InChIInChI=1S/C23H25N3O4S/c1-25-13-15-26(16-14-25)21-10-6-5-9-20(21)24-23(27)22-12-11-18(30-22)17-31(28,29)19-7-3-2-4-8-19/h2-12H,13-17H2,1H3,(H,24,27)
InChIKeyKZAATXWBAVOBCW-UHFFFAOYSA-N
XLogP3.26
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(benzenesulfonylmethyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]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

5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide
CID 27167042
5-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 26584463
5-(benzenesulfonylmethyl)-N-(2-ethoxyphenyl)furan-2-carboxamide
CID 26736329
4-(benzenesulfonylmethyl)-2-(4-methylpiperazin-1-yl)aniline
CID 174440803
5-(3,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 2237354
5-(benzenesulfonylmethyl)-N-(5-fluoro-2-methylphenyl)furan-2-carboxamide
CID 26696587
3-(benzenesulfonamido)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 55359461
5-(benzenesulfonylmethyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]furan-2-carboxamide
CID 26520481
N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55359411
5-(benzenesulfonylmethyl)-N-(1,1-diphenylethyl)furan-2-carboxamide
CID 56522776
5-(benzenesulfonylmethyl)-N-[3-(methoxymethyl)phenyl]furan-2-carboxamide
CID 32638148
5-acetamido-N-(2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 110699962

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide (CID 46807132) is 5-(benzenesulfonylmethyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide is CN1CCN(c2ccccc2NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)CC1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is KZAATXWBAVOBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-25-13-15-26(16-14-25)21-10-6-5-9-20(21)24-23(27)22-12-11-18(30-22)17-31(28,29)19-7-3-2-4-8-19/h2-12H,13-17H2,1H3,(H,24,27).
What are the key properties of 5-(benzenesulfonylmethyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 46807132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).