N-[4-[benzyl(methyl)amino]phenyl]thiophene-2-sulfonamide

C18H18N2O2S2 — CID 112982346

IUPACN-[4-[benzyl(methyl)amino]phenyl]thiophene-2-sulfonamide
SMILESCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C18H18N2O2S2/c1-20(14-15-6-3-2-4-7-15)17-11-9-16(10-12-17)19-24(21,22)18-8-5-13-23-18/h2-13,19H,14H2,1H3
InChIKeyXCDCOWGTAFRKQL-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.19
Rot. Bonds6

About N-[4-[benzyl(methyl)amino]phenyl]thiophene-2-sulfonamide

N-[4-[benzyl(methyl)amino]phenyl]thiophene-2-sulfonamide (PubChem CID 112982346) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)amino]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)amino]phenyl]thiophene-2-sulfonamide
PubChem CID112982346
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC NameN-[4-[benzyl(methyl)amino]phenyl]thiophene-2-sulfonamide
SMILESCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C18H18N2O2S2/c1-20(14-15-6-3-2-4-7-15)17-11-9-16(10-12-17)19-24(21,22)18-8-5-13-23-18/h2-13,19H,14H2,1H3
InChIKeyXCDCOWGTAFRKQL-UHFFFAOYSA-N
XLogP4.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986152
N-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78847492
N-benzyl-N-butan-2-yl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 56536537
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]thiophene-2-sulfonamide
CID 113012641
N-[4-(3-phenylpropylamino)phenyl]thiophene-2-sulfonamide
CID 112984772
N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-sulfonamide
CID 112981383
N-benzyl-N-propan-2-yl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55909095
N-[4-(phenylsulfanylmethyl)phenyl]thiophene-2-sulfonamide
CID 126346342
N-[5-[benzyl(ethyl)amino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113027614
N-methyl-4-(thiophen-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 55347513
N-(3-benzyl-4-methoxyphenyl)thiophene-2-sulfonamide
CID 27301138
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1075762

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)amino]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-[benzyl(methyl)amino]phenyl]thiophene-2-sulfonamide (CID 112982346) is N-[4-[benzyl(methyl)amino]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[benzyl(methyl)amino]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-[benzyl(methyl)amino]phenyl]thiophene-2-sulfonamide is CN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[benzyl(methyl)amino]phenyl]thiophene-2-sulfonamide?
The InChIKey is XCDCOWGTAFRKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-20(14-15-6-3-2-4-7-15)17-11-9-16(10-12-17)19-24(21,22)18-8-5-13-23-18/h2-13,19H,14H2,1H3.
What are the key properties of N-[4-[benzyl(methyl)amino]phenyl]thiophene-2-sulfonamide?
N-[4-[benzyl(methyl)amino]phenyl]thiophene-2-sulfonamide has a molecular weight of 358.49 g/mol, XLogP of 4.19, 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)amino]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 112982346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).