(E)-2-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]ethenesulfonamide

C19H18N2O2S2 — CID 90628092

IUPAC(E)-2-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)NCc2cncc(-c3ccsc3)c2)cc1
InChIInChI=1S/C19H18N2O2S2/c1-15-2-4-16(5-3-15)7-9-25(22,23)21-12-17-10-19(13-20-11-17)18-6-8-24-14-18/h2-11,13-14,21H,12H2,1H3/b9-7+
InChIKeyZECOPPBUSCTSDX-VQHVLOKHSA-N
MW370.50 g/mol
LogP4.21
Rot. Bonds6

About (E)-2-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]ethenesulfonamide

(E)-2-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]ethenesulfonamide (PubChem CID 90628092) has the molecular formula C19H18N2O2S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is (E)-2-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]ethenesulfonamide
PubChem CID90628092
Molecular FormulaC19H18N2O2S2
Molecular Weight370.50 g/mol
Exact Mass370.08
IUPAC Name(E)-2-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)NCc2cncc(-c3ccsc3)c2)cc1
InChIInChI=1S/C19H18N2O2S2/c1-15-2-4-16(5-3-15)7-9-25(22,23)21-12-17-10-19(13-20-11-17)18-6-8-24-14-18/h2-11,13-14,21H,12H2,1H3/b9-7+
InChIKeyZECOPPBUSCTSDX-VQHVLOKHSA-N
XLogP4.21
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]ethenesulfonamide?
The IUPAC name of (E)-2-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]ethenesulfonamide (CID 90628092) is (E)-2-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]ethenesulfonamide?
The canonical SMILES for (E)-2-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]ethenesulfonamide is Cc1ccc(/C=C/S(=O)(=O)NCc2cncc(-c3ccsc3)c2)cc1.
What is the InChIKey of (E)-2-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]ethenesulfonamide?
The InChIKey is ZECOPPBUSCTSDX-VQHVLOKHSA-N. The full InChI is InChI=1S/C19H18N2O2S2/c1-15-2-4-16(5-3-15)7-9-25(22,23)21-12-17-10-19(13-20-11-17)18-6-8-24-14-18/h2-11,13-14,21H,12H2,1H3/b9-7+.
What are the key properties of (E)-2-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]ethenesulfonamide?
(E)-2-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]ethenesulfonamide has a molecular weight of 370.50 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]ethenesulfonamide is sourced from PubChem (CID 90628092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).