N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide

C18H24N2O4S2 — CID 113069281

IUPACN-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide
SMILESCCc1ccc(N(CCNS(=O)(=O)c2ccc(C)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H24N2O4S2/c1-4-16-7-9-17(10-8-16)20(25(3,21)22)14-13-19-26(23,24)18-11-5-15(2)6-12-18/h5-12,19H,4,13-14H2,1-3H3
InChIKeyDMEROAYOOMJBGW-UHFFFAOYSA-N
MW396.53 g/mol
LogP2.30
Rot. Bonds8

About N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide

N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide (PubChem CID 113069281) has the molecular formula C18H24N2O4S2 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide
PubChem CID113069281
Molecular FormulaC18H24N2O4S2
Molecular Weight396.53 g/mol
Exact Mass396.12
IUPAC NameN-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide
SMILESCCc1ccc(N(CCNS(=O)(=O)c2ccc(C)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H24N2O4S2/c1-4-16-7-9-17(10-8-16)20(25(3,21)22)14-13-19-26(23,24)18-11-5-15(2)6-12-18/h5-12,19H,4,13-14H2,1-3H3
InChIKeyDMEROAYOOMJBGW-UHFFFAOYSA-N
XLogP2.30
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113068757
N-(4-ethylphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113058462
N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide
CID 113068747
N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide
CID 113068891
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethyl-methylsulfonylamino]ethyl]benzenesulfonamide
CID 3245216
N-(4-ethylphenyl)-N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]acetamide
CID 113058469
N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane
CID 143460096
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 113065645
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-4-ethylbenzenesulfonamide
CID 113065868
N'-(4-ethylphenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 9235680
N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069223
N-(4-ethylphenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide
CID 53285217

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide (CID 113069281) is N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide is CCc1ccc(N(CCNS(=O)(=O)c2ccc(C)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is DMEROAYOOMJBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S2/c1-4-16-7-9-17(10-8-16)20(25(3,21)22)14-13-19-26(23,24)18-11-5-15(2)6-12-18/h5-12,19H,4,13-14H2,1-3H3.
What are the key properties of N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide?
N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 396.53 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 113069281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).