N-[4-[benzyl(methyl)amino]but-2-ynyl]-5-methylthiophene-2-sulfonamide

C17H20N2O2S2 — CID 71792927

IUPACN-[4-[benzyl(methyl)amino]but-2-ynyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC#CCN(C)Cc2ccccc2)s1
InChIInChI=1S/C17H20N2O2S2/c1-15-10-11-17(22-15)23(20,21)18-12-6-7-13-19(2)14-16-8-4-3-5-9-16/h3-5,8-11,18H,12-14H2,1-2H3
InChIKeyQFHJGKZXCWWZAA-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.47
Rot. Bonds6

About N-[4-[benzyl(methyl)amino]but-2-ynyl]-5-methylthiophene-2-sulfonamide

N-[4-[benzyl(methyl)amino]but-2-ynyl]-5-methylthiophene-2-sulfonamide (PubChem CID 71792927) has the molecular formula C17H20N2O2S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)amino]but-2-ynyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)amino]but-2-ynyl]-5-methylthiophene-2-sulfonamide
PubChem CID71792927
Molecular FormulaC17H20N2O2S2
Molecular Weight348.49 g/mol
Exact Mass348.10
IUPAC NameN-[4-[benzyl(methyl)amino]but-2-ynyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC#CCN(C)Cc2ccccc2)s1
InChIInChI=1S/C17H20N2O2S2/c1-15-10-11-17(22-15)23(20,21)18-12-6-7-13-19(2)14-16-8-4-3-5-9-16/h3-5,8-11,18H,12-14H2,1-2H3
InChIKeyQFHJGKZXCWWZAA-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-[4-(2-methylphenoxy)but-2-ynyl]thiophene-2-sulfonamide
CID 90575443
N-[4-[benzyl(methyl)amino]but-2-ynyl]acetamide
CID 21390504
N-[4-(2-methoxyphenoxy)but-2-ynyl]-5-methylthiophene-2-sulfonamide
CID 71802970
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
5-methyl-N-(2-phenylpropyl)thiophene-2-sulfonamide
CID 47109865
N-[[3-(bromomethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide
CID 113271866
N-[[5-[3-[benzyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55435788
N-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 113317180
5-methyl-N-(2-phenoxyethyl)thiophene-2-sulfonamide
CID 30867028
3-methyl-2-[[(5-methylthiophen-2-yl)sulfonylamino]methyl]butanoic acid
CID 65221421
N-(2-hydroxy-2-phenylethyl)-5-methylthiophene-2-sulfonamide
CID 43502482
N-[4-[benzyl(methyl)amino]but-2-ynyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 71792859

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)amino]but-2-ynyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[4-[benzyl(methyl)amino]but-2-ynyl]-5-methylthiophene-2-sulfonamide (CID 71792927) is N-[4-[benzyl(methyl)amino]but-2-ynyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[benzyl(methyl)amino]but-2-ynyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[4-[benzyl(methyl)amino]but-2-ynyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCC#CCN(C)Cc2ccccc2)s1.
What is the InChIKey of N-[4-[benzyl(methyl)amino]but-2-ynyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is QFHJGKZXCWWZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S2/c1-15-10-11-17(22-15)23(20,21)18-12-6-7-13-19(2)14-16-8-4-3-5-9-16/h3-5,8-11,18H,12-14H2,1-2H3.
What are the key properties of N-[4-[benzyl(methyl)amino]but-2-ynyl]-5-methylthiophene-2-sulfonamide?
N-[4-[benzyl(methyl)amino]but-2-ynyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 348.49 g/mol, XLogP of 2.47, 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]but-2-ynyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 71792927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).