N-[5-(benzenesulfonylmethyl)-4-methyl-3-phenylfuran-2-yl]-N-butylmethanesulfonamide

C23H27NO5S2 — CID 139193149

IUPACN-[5-(benzenesulfonylmethyl)-4-methyl-3-phenylfuran-2-yl]-N-butylmethanesulfonamide
SMILESCCCCN(c1oc(CS(=O)(=O)c2ccccc2)c(C)c1-c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C23H27NO5S2/c1-4-5-16-24(30(3,25)26)23-22(19-12-8-6-9-13-19)18(2)21(29-23)17-31(27,28)20-14-10-7-11-15-20/h6-15H,4-5,16-17H2,1-3H3
InChIKeyYMZKLCWRSPVURU-UHFFFAOYSA-N
MW461.61 g/mol
LogP4.80
Rot. Bonds9

About N-[5-(benzenesulfonylmethyl)-4-methyl-3-phenylfuran-2-yl]-N-butylmethanesulfonamide

N-[5-(benzenesulfonylmethyl)-4-methyl-3-phenylfuran-2-yl]-N-butylmethanesulfonamide (PubChem CID 139193149) has the molecular formula C23H27NO5S2 and a molecular weight of 461.61 g/mol. Its IUPAC name is N-[5-(benzenesulfonylmethyl)-4-methyl-3-phenylfuran-2-yl]-N-butylmethanesulfonamide.

Molecular Properties

Compound NameN-[5-(benzenesulfonylmethyl)-4-methyl-3-phenylfuran-2-yl]-N-butylmethanesulfonamide
PubChem CID139193149
Molecular FormulaC23H27NO5S2
Molecular Weight461.61 g/mol
Exact Mass461.13
IUPAC NameN-[5-(benzenesulfonylmethyl)-4-methyl-3-phenylfuran-2-yl]-N-butylmethanesulfonamide
SMILESCCCCN(c1oc(CS(=O)(=O)c2ccccc2)c(C)c1-c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C23H27NO5S2/c1-4-5-16-24(30(3,25)26)23-22(19-12-8-6-9-13-19)18(2)21(29-23)17-31(27,28)20-14-10-7-11-15-20/h6-15H,4-5,16-17H2,1-3H3
InChIKeyYMZKLCWRSPVURU-UHFFFAOYSA-N
XLogP4.80
TPSA84.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[5-(benzenesulfonylmethyl)-4-methyl-3-phenylfuran-2-yl]-N-butylmethanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzenesulfonylmethyl)-4-methyl-3-phenylfuran-2-yl]-N-butylmethanesulfonamide?
The IUPAC name of N-[5-(benzenesulfonylmethyl)-4-methyl-3-phenylfuran-2-yl]-N-butylmethanesulfonamide (CID 139193149) is N-[5-(benzenesulfonylmethyl)-4-methyl-3-phenylfuran-2-yl]-N-butylmethanesulfonamide.
What is the SMILES notation for N-[5-(benzenesulfonylmethyl)-4-methyl-3-phenylfuran-2-yl]-N-butylmethanesulfonamide?
The canonical SMILES for N-[5-(benzenesulfonylmethyl)-4-methyl-3-phenylfuran-2-yl]-N-butylmethanesulfonamide is CCCCN(c1oc(CS(=O)(=O)c2ccccc2)c(C)c1-c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[5-(benzenesulfonylmethyl)-4-methyl-3-phenylfuran-2-yl]-N-butylmethanesulfonamide?
The InChIKey is YMZKLCWRSPVURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5S2/c1-4-5-16-24(30(3,25)26)23-22(19-12-8-6-9-13-19)18(2)21(29-23)17-31(27,28)20-14-10-7-11-15-20/h6-15H,4-5,16-17H2,1-3H3.
What are the key properties of N-[5-(benzenesulfonylmethyl)-4-methyl-3-phenylfuran-2-yl]-N-butylmethanesulfonamide?
N-[5-(benzenesulfonylmethyl)-4-methyl-3-phenylfuran-2-yl]-N-butylmethanesulfonamide has a molecular weight of 461.61 g/mol, XLogP of 4.80, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzenesulfonylmethyl)-4-methyl-3-phenylfuran-2-yl]-N-butylmethanesulfonamide is sourced from PubChem (CID 139193149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).