(E)-2-(4-methylphenyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethenesulfonamide

C19H23NO3S2 — CID 71796616

IUPAC(E)-2-(4-methylphenyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)NCC2(c3cccs3)CCOCC2)cc1
InChIInChI=1S/C19H23NO3S2/c1-16-4-6-17(7-5-16)8-14-25(21,22)20-15-19(9-11-23-12-10-19)18-3-2-13-24-18/h2-8,13-14,20H,9-12,15H2,1H3/b14-8+
InChIKeyLSBPXZRGDGQFGT-RIYZIHGNSA-N
MW377.53 g/mol
LogP3.70
Rot. Bonds6

About (E)-2-(4-methylphenyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethenesulfonamide

(E)-2-(4-methylphenyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethenesulfonamide (PubChem CID 71796616) has the molecular formula C19H23NO3S2 and a molecular weight of 377.53 g/mol. Its IUPAC name is (E)-2-(4-methylphenyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-methylphenyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethenesulfonamide
PubChem CID71796616
Molecular FormulaC19H23NO3S2
Molecular Weight377.53 g/mol
Exact Mass377.11
IUPAC Name(E)-2-(4-methylphenyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)NCC2(c3cccs3)CCOCC2)cc1
InChIInChI=1S/C19H23NO3S2/c1-16-4-6-17(7-5-16)8-14-25(21,22)20-15-19(9-11-23-12-10-19)18-3-2-13-24-18/h2-8,13-14,20H,9-12,15H2,1H3/b14-8+
InChIKeyLSBPXZRGDGQFGT-RIYZIHGNSA-N
XLogP3.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.70
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-[(4-thiophen-2-yloxan-4-yl)methyl]ethenesulfonamide?
The IUPAC name of (E)-2-(4-methylphenyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethenesulfonamide (CID 71796616) is (E)-2-(4-methylphenyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-methylphenyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethenesulfonamide?
The canonical SMILES for (E)-2-(4-methylphenyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethenesulfonamide is Cc1ccc(/C=C/S(=O)(=O)NCC2(c3cccs3)CCOCC2)cc1.
What is the InChIKey of (E)-2-(4-methylphenyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethenesulfonamide?
The InChIKey is LSBPXZRGDGQFGT-RIYZIHGNSA-N. The full InChI is InChI=1S/C19H23NO3S2/c1-16-4-6-17(7-5-16)8-14-25(21,22)20-15-19(9-11-23-12-10-19)18-3-2-13-24-18/h2-8,13-14,20H,9-12,15H2,1H3/b14-8+.
What are the key properties of (E)-2-(4-methylphenyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethenesulfonamide?
(E)-2-(4-methylphenyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethenesulfonamide has a molecular weight of 377.53 g/mol, XLogP of 3.70, 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-[(4-thiophen-2-yloxan-4-yl)methyl]ethenesulfonamide is sourced from PubChem (CID 71796616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).