(E)-N-(3-methyl-1-thiophen-2-ylbutyl)-2-phenylethenesulfonamide

C17H21NO2S2 — CID 60548872

IUPAC(E)-N-(3-methyl-1-thiophen-2-ylbutyl)-2-phenylethenesulfonamide
SMILESCC(C)CC(NS(=O)(=O)/C=C/c1ccccc1)c1cccs1
InChIInChI=1S/C17H21NO2S2/c1-14(2)13-16(17-9-6-11-21-17)18-22(19,20)12-10-15-7-4-3-5-8-15/h3-12,14,16,18H,13H2,1-2H3/b12-10+
InChIKeyXHRLENUUKQWICB-ZRDIBKRKSA-N
MW335.49 g/mol
LogP4.43
Rot. Bonds7

About (E)-N-(3-methyl-1-thiophen-2-ylbutyl)-2-phenylethenesulfonamide

(E)-N-(3-methyl-1-thiophen-2-ylbutyl)-2-phenylethenesulfonamide (PubChem CID 60548872) has the molecular formula C17H21NO2S2 and a molecular weight of 335.49 g/mol. Its IUPAC name is (E)-N-(3-methyl-1-thiophen-2-ylbutyl)-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(3-methyl-1-thiophen-2-ylbutyl)-2-phenylethenesulfonamide
PubChem CID60548872
Molecular FormulaC17H21NO2S2
Molecular Weight335.49 g/mol
Exact Mass335.10
IUPAC Name(E)-N-(3-methyl-1-thiophen-2-ylbutyl)-2-phenylethenesulfonamide
SMILESCC(C)CC(NS(=O)(=O)/C=C/c1ccccc1)c1cccs1
InChIInChI=1S/C17H21NO2S2/c1-14(2)13-16(17-9-6-11-21-17)18-22(19,20)12-10-15-7-4-3-5-8-15/h3-12,14,16,18H,13H2,1-2H3/b12-10+
InChIKeyXHRLENUUKQWICB-ZRDIBKRKSA-N
XLogP4.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(E)-2-phenylethenyl]sulfonylamino]-2-thiophen-2-ylacetic acid
CID 115284329
(E)-2-phenyl-N-propan-2-ylethenesulfonamide
CID 23548846
(E)-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-phenylethenesulfonamide
CID 71782490
(E)-N-(3-methylbutan-2-yl)-2-phenylethenesulfonamide
CID 51169033
(E)-N-(1-hydroxybutan-2-yl)-2-phenylethenesulfonamide
CID 43501665
(E)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-phenylethenesulfonamide
CID 90500202
(E)-N-methyl-2-phenylethenesulfonamide
CID 2427246
2-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]ethenesulfonamide
CID 78977229
(E)-N-ethyl-2-phenylethenesulfonamide
CID 43212835
(2S)-1-[(3-methyl-1-thiophen-2-ylbutyl)amino]propan-2-ol
CID 103906407
N-methyl-2-[(3-methyl-1-thiophen-2-ylbutyl)amino]acetamide
CID 115706824
(E)-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine
CID 81408581

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-methyl-1-thiophen-2-ylbutyl)-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-(3-methyl-1-thiophen-2-ylbutyl)-2-phenylethenesulfonamide (CID 60548872) is (E)-N-(3-methyl-1-thiophen-2-ylbutyl)-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-(3-methyl-1-thiophen-2-ylbutyl)-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-(3-methyl-1-thiophen-2-ylbutyl)-2-phenylethenesulfonamide is CC(C)CC(NS(=O)(=O)/C=C/c1ccccc1)c1cccs1.
What is the InChIKey of (E)-N-(3-methyl-1-thiophen-2-ylbutyl)-2-phenylethenesulfonamide?
The InChIKey is XHRLENUUKQWICB-ZRDIBKRKSA-N. The full InChI is InChI=1S/C17H21NO2S2/c1-14(2)13-16(17-9-6-11-21-17)18-22(19,20)12-10-15-7-4-3-5-8-15/h3-12,14,16,18H,13H2,1-2H3/b12-10+.
What are the key properties of (E)-N-(3-methyl-1-thiophen-2-ylbutyl)-2-phenylethenesulfonamide?
(E)-N-(3-methyl-1-thiophen-2-ylbutyl)-2-phenylethenesulfonamide has a molecular weight of 335.49 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-methyl-1-thiophen-2-ylbutyl)-2-phenylethenesulfonamide is sourced from PubChem (CID 60548872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).