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

C19H18N2O2S2 — CID 117055130

IUPAC(E)-2-(4-methylphenyl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)NCc2cncc(-c3cccs3)c2)cc1
InChIInChI=1S/C19H18N2O2S2/c1-15-4-6-16(7-5-15)8-10-25(22,23)21-13-17-11-18(14-20-12-17)19-3-2-9-24-19/h2-12,14,21H,13H2,1H3/b10-8+
InChIKeyJFPZHZXWTRNOLW-CSKARUKUSA-N
MW370.50 g/mol
LogP4.21
Rot. Bonds6

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

(E)-2-(4-methylphenyl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide (PubChem CID 117055130) 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-2-yl-3-pyridinyl)methyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-methylphenyl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide
PubChem CID117055130
Molecular FormulaC19H18N2O2S2
Molecular Weight370.50 g/mol
Exact Mass370.08
IUPAC Name(E)-2-(4-methylphenyl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)NCc2cncc(-c3cccs3)c2)cc1
InChIInChI=1S/C19H18N2O2S2/c1-15-4-6-16(7-5-15)8-10-25(22,23)21-13-17-11-18(14-20-12-17)19-3-2-9-24-19/h2-12,14,21H,13H2,1H3/b10-8+
InChIKeyJFPZHZXWTRNOLW-CSKARUKUSA-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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Related Compounds

(5-Pyrid-3-ylthien-2-YL)methylamine
CID 11206290
N-Methyl-(5-pyrid-3-ylthien-2-yl)methylamine
CID 11321674
4-(4-(Thiophen-2-yl)benzyl)pyridine
CID 46901783
4-(4-(Thiophen-3-yl)benzyl)pyridine
CID 46901784
trans-(1S,2R)-N-methyl-1-pyridin-3-yl-2-[2-(thiophen-2-ylsulfonylamino)ethyl]cyclohexane-1-carbothioamide
CID 10047940
N-(2-(4-ethylpiperazin-1-yl)-2-(pyridin-3-yl)ethyl)thiophene-2-sulfonamide
CID 16194574
N-Methyl-1-[5-phenyl-1-(2-thienylsulfonyl)-1H-pyrrol-3-yl]methanamine hydrochloride
CID 57522260
N-Methyl-1-[5-phenyl-1-(3-thienylsulfonyl)-1H-pyrrol-3-yl]methanamine hydrochloride
CID 57522379
1-[5-(2-fluoro-3-pyridinyl)-1-thiophen-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine
CID 67084021
1-[5-(2-fluoro-3-pyridinyl)-1-thiophen-2-ylsulfonylpyrrol-3-yl]-N-methylmethanamine
CID 67084179
N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide
CID 3237610
4-[4-[(Pyridin-2-ylmethylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 45261834

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-methylphenyl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide?
The IUPAC name of (E)-2-(4-methylphenyl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide (CID 117055130) is (E)-2-(4-methylphenyl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-methylphenyl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide?
The canonical SMILES for (E)-2-(4-methylphenyl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide is Cc1ccc(/C=C/S(=O)(=O)NCc2cncc(-c3cccs3)c2)cc1.
What is the InChIKey of (E)-2-(4-methylphenyl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide?
The InChIKey is JFPZHZXWTRNOLW-CSKARUKUSA-N. The full InChI is InChI=1S/C19H18N2O2S2/c1-15-4-6-16(7-5-15)8-10-25(22,23)21-13-17-11-18(14-20-12-17)19-3-2-9-24-19/h2-12,14,21H,13H2,1H3/b10-8+.
What are the key properties of (E)-2-(4-methylphenyl)-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]ethenesulfonamide?
(E)-2-(4-methylphenyl)-N-[(5-thiophen-2-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-2-yl-3-pyridinyl)methyl]ethenesulfonamide is sourced from PubChem (CID 117055130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).