N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide

C26H26N2O4S — CID 1304567

IUPACN-[4-[benzyl(methyl)sulfamoyl]phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1cc2oc(C(=O)Nc3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)c(C)c2cc1C
InChIInChI=1S/C26H26N2O4S/c1-17-14-23-19(3)25(32-24(23)15-18(17)2)26(29)27-21-10-12-22(13-11-21)33(30,31)28(4)16-20-8-6-5-7-9-20/h5-15H,16H2,1-4H3,(H,27,29)
InChIKeyKKRFVBHXTSXYFD-UHFFFAOYSA-N
MW462.57 g/mol
LogP5.43
Rot. Bonds6

About N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide (PubChem CID 1304567) has the molecular formula C26H26N2O4S and a molecular weight of 462.57 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
PubChem CID1304567
Molecular FormulaC26H26N2O4S
Molecular Weight462.57 g/mol
Exact Mass462.16
IUPAC NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1cc2oc(C(=O)Nc3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)c(C)c2cc1C
InChIInChI=1S/C26H26N2O4S/c1-17-14-23-19(3)25(32-24(23)15-18(17)2)26(29)27-21-10-12-22(13-11-21)33(30,31)28(4)16-20-8-6-5-7-9-20/h5-15H,16H2,1-4H3,(H,27,29)
InChIKeyKKRFVBHXTSXYFD-UHFFFAOYSA-N
XLogP5.43
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.57
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3,5,6-trimethyl-1-benzofuran-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-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 17014036
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide
CID 26899300
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-bromobenzamide
CID 1014272
2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide
CID 3936175
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dichlorobenzamide
CID 26899296
5-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7581232
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 1014294
3-[benzyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 109064666
5-[benzyl(methyl)sulfamoyl]-2-chloro-N-dibenzofuran-2-ylbenzamide
CID 16552391
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 26899209
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(butanoylamino)benzamide
CID 1025638
3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide
CID 17310164

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide (CID 1304567) is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide is Cc1cc2oc(C(=O)Nc3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)c(C)c2cc1C.
What is the InChIKey of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide?
The InChIKey is KKRFVBHXTSXYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4S/c1-17-14-23-19(3)25(32-24(23)15-18(17)2)26(29)27-21-10-12-22(13-11-21)33(30,31)28(4)16-20-8-6-5-7-9-20/h5-15H,16H2,1-4H3,(H,27,29).
What are the key properties of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide?
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide has a molecular weight of 462.57 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1304567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).