(E)-N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(4-methylphenyl)ethenesulfonamide

C21H25NO3S — CID 134028181

IUPAC(E)-N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)N(Cc2ccc(C3CC3C)o2)C2CC2)cc1
InChIInChI=1S/C21H25NO3S/c1-15-3-5-17(6-4-15)11-12-26(23,24)22(18-7-8-18)14-19-9-10-21(25-19)20-13-16(20)2/h3-6,9-12,16,18,20H,7-8,13-14H2,1-2H3/b12-11+
InChIKeySEAHHMAHQYMKTK-VAWYXSNFSA-N
MW371.50 g/mol
LogP4.68
Rot. Bonds7

About (E)-N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(4-methylphenyl)ethenesulfonamide

(E)-N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(4-methylphenyl)ethenesulfonamide (PubChem CID 134028181) has the molecular formula C21H25NO3S and a molecular weight of 371.50 g/mol. Its IUPAC name is (E)-N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(4-methylphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(4-methylphenyl)ethenesulfonamide
PubChem CID134028181
Molecular FormulaC21H25NO3S
Molecular Weight371.50 g/mol
Exact Mass371.16
IUPAC Name(E)-N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)N(Cc2ccc(C3CC3C)o2)C2CC2)cc1
InChIInChI=1S/C21H25NO3S/c1-15-3-5-17(6-4-15)11-12-26(23,24)22(18-7-8-18)14-19-9-10-21(25-19)20-13-16(20)2/h3-6,9-12,16,18,20H,7-8,13-14H2,1-2H3/b12-11+
InChIKeySEAHHMAHQYMKTK-VAWYXSNFSA-N
XLogP4.68
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(4-methylphenyl)ethenesulfonamide?
The IUPAC name of (E)-N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(4-methylphenyl)ethenesulfonamide (CID 134028181) is (E)-N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(4-methylphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(4-methylphenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(4-methylphenyl)ethenesulfonamide is Cc1ccc(/C=C/S(=O)(=O)N(Cc2ccc(C3CC3C)o2)C2CC2)cc1.
What is the InChIKey of (E)-N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(4-methylphenyl)ethenesulfonamide?
The InChIKey is SEAHHMAHQYMKTK-VAWYXSNFSA-N. The full InChI is InChI=1S/C21H25NO3S/c1-15-3-5-17(6-4-15)11-12-26(23,24)22(18-7-8-18)14-19-9-10-21(25-19)20-13-16(20)2/h3-6,9-12,16,18,20H,7-8,13-14H2,1-2H3/b12-11+.
What are the key properties of (E)-N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(4-methylphenyl)ethenesulfonamide?
(E)-N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(4-methylphenyl)ethenesulfonamide has a molecular weight of 371.50 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(4-methylphenyl)ethenesulfonamide is sourced from PubChem (CID 134028181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).