(E)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide

C19H22N2O3S2 — CID 6213936

IUPAC(E)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)/C=C/c1cccs1
InChIInChI=1S/C19H22N2O3S2/c1-15-7-9-17(26(23,24)21-11-3-2-4-12-21)14-18(15)20-19(22)10-8-16-6-5-13-25-16/h5-10,13-14H,2-4,11-12H2,1H3,(H,20,22)/b10-8+
InChIKeyZCIGLAMHJQZNMB-CSKARUKUSA-N
MW390.53 g/mol
LogP3.88
Rot. Bonds5

About (E)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 6213936) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is (E)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID6213936
Molecular FormulaC19H22N2O3S2
Molecular Weight390.53 g/mol
Exact Mass390.11
IUPAC Name(E)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)/C=C/c1cccs1
InChIInChI=1S/C19H22N2O3S2/c1-15-7-9-17(26(23,24)21-11-3-2-4-12-21)14-18(15)20-19(22)10-8-16-6-5-13-25-16/h5-10,13-14H,2-4,11-12H2,1H3,(H,20,22)/b10-8+
InChIKeyZCIGLAMHJQZNMB-CSKARUKUSA-N
XLogP3.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 6092486
(E)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 9081709
(E)-N-[5-[(2-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 6235648
(E)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 6215014
(E)-N-(2-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 2146472
1-(4-pyrrolidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-en-1-one
CID 4242357
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 18074440
2-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 51126593
1-methyl-3-(2-methyl-5-piperidin-1-ylsulfonylphenyl)thiourea
CID 7941210
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(2-fluorophenyl)prop-2-enamide
CID 55344900
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide
CID 18284846
(E)-N-(2,4-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922914

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide (CID 6213936) is (E)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is ZCIGLAMHJQZNMB-CSKARUKUSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c1-15-7-9-17(26(23,24)21-11-3-2-4-12-21)14-18(15)20-19(22)10-8-16-6-5-13-25-16/h5-10,13-14H,2-4,11-12H2,1H3,(H,20,22)/b10-8+.
What are the key properties of (E)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 390.53 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 6213936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).