N-(furan-2-ylmethyl)-2,4,6-trimethyl-3-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide

C22H26N2O5S2 — CID 18592812

IUPACN-(furan-2-ylmethyl)-2,4,6-trimethyl-3-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2c(C)cc(C)c(S(=O)(=O)NCc3ccco3)c2C)cc1
InChIInChI=1S/C22H26N2O5S2/c1-15-8-10-20(11-9-15)31(27,28)24(5)21-16(2)13-17(3)22(18(21)4)30(25,26)23-14-19-7-6-12-29-19/h6-13,23H,14H2,1-5H3
InChIKeyHOIHJOFKLJRADW-UHFFFAOYSA-N
MW462.59 g/mol
LogP3.82
Rot. Bonds7

About N-(furan-2-ylmethyl)-2,4,6-trimethyl-3-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide

N-(furan-2-ylmethyl)-2,4,6-trimethyl-3-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide (PubChem CID 18592812) has the molecular formula C22H26N2O5S2 and a molecular weight of 462.59 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,4,6-trimethyl-3-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2,4,6-trimethyl-3-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide
PubChem CID18592812
Molecular FormulaC22H26N2O5S2
Molecular Weight462.59 g/mol
Exact Mass462.13
IUPAC NameN-(furan-2-ylmethyl)-2,4,6-trimethyl-3-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2c(C)cc(C)c(S(=O)(=O)NCc3ccco3)c2C)cc1
InChIInChI=1S/C22H26N2O5S2/c1-15-8-10-20(11-9-15)31(27,28)24(5)21-16(2)13-17(3)22(18(21)4)30(25,26)23-14-19-7-6-12-29-19/h6-13,23H,14H2,1-5H3
InChIKeyHOIHJOFKLJRADW-UHFFFAOYSA-N
XLogP3.82
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(furan-2-ylmethylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 35155749
N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-methylbenzenesulfonamide
CID 110345911
2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 32672518
N-(2-chloro-4-methylphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 4789763
1-(3,5-dimethylphenyl)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea
CID 25039568
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 53054353
N-(furan-2-ylmethyl)-5-[methyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide
CID 50810576
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 55454491
N-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 7937948
3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 738690
2,3,5,6-tetrafluoro-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 18191791
N-(furan-2-ylmethyl)-2,4,6-trimethoxybenzenesulfonamide
CID 110759282

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2,4,6-trimethyl-3-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-2,4,6-trimethyl-3-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide (CID 18592812) is N-(furan-2-ylmethyl)-2,4,6-trimethyl-3-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2,4,6-trimethyl-3-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2,4,6-trimethyl-3-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2c(C)cc(C)c(S(=O)(=O)NCc3ccco3)c2C)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2,4,6-trimethyl-3-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide?
The InChIKey is HOIHJOFKLJRADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S2/c1-15-8-10-20(11-9-15)31(27,28)24(5)21-16(2)13-17(3)22(18(21)4)30(25,26)23-14-19-7-6-12-29-19/h6-13,23H,14H2,1-5H3.
What are the key properties of N-(furan-2-ylmethyl)-2,4,6-trimethyl-3-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide?
N-(furan-2-ylmethyl)-2,4,6-trimethyl-3-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide has a molecular weight of 462.59 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2,4,6-trimethyl-3-[methyl-(4-methylphenyl)sulfonylamino]benzenesulfonamide is sourced from PubChem (CID 18592812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).