N-benzyl-N-[1-(4-methoxyphenyl)propa-1,2-dienyl]methanesulfonamide

C18H19NO3S — CID 71530702

IUPACN-benzyl-N-[1-(4-methoxyphenyl)propa-1,2-dienyl]methanesulfonamide
SMILESC=C=C(c1ccc(OC)cc1)N(Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H19NO3S/c1-4-18(16-10-12-17(22-2)13-11-16)19(23(3,20)21)14-15-8-6-5-7-9-15/h5-13H,1,14H2,2-3H3
InChIKeyQVYXQMWMKBDVAJ-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.28
Rot. Bonds6

About N-benzyl-N-[1-(4-methoxyphenyl)propa-1,2-dienyl]methanesulfonamide

N-benzyl-N-[1-(4-methoxyphenyl)propa-1,2-dienyl]methanesulfonamide (PubChem CID 71530702) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-benzyl-N-[1-(4-methoxyphenyl)propa-1,2-dienyl]methanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[1-(4-methoxyphenyl)propa-1,2-dienyl]methanesulfonamide
PubChem CID71530702
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC NameN-benzyl-N-[1-(4-methoxyphenyl)propa-1,2-dienyl]methanesulfonamide
SMILESC=C=C(c1ccc(OC)cc1)N(Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H19NO3S/c1-4-18(16-10-12-17(22-2)13-11-16)19(23(3,20)21)14-15-8-6-5-7-9-15/h5-13H,1,14H2,2-3H3
InChIKeyQVYXQMWMKBDVAJ-UHFFFAOYSA-N
XLogP3.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1-(4-methoxyphenyl)propa-1,2-dienyl]methanesulfonamide?
The IUPAC name of N-benzyl-N-[1-(4-methoxyphenyl)propa-1,2-dienyl]methanesulfonamide (CID 71530702) is N-benzyl-N-[1-(4-methoxyphenyl)propa-1,2-dienyl]methanesulfonamide.
What is the SMILES notation for N-benzyl-N-[1-(4-methoxyphenyl)propa-1,2-dienyl]methanesulfonamide?
The canonical SMILES for N-benzyl-N-[1-(4-methoxyphenyl)propa-1,2-dienyl]methanesulfonamide is C=C=C(c1ccc(OC)cc1)N(Cc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-benzyl-N-[1-(4-methoxyphenyl)propa-1,2-dienyl]methanesulfonamide?
The InChIKey is QVYXQMWMKBDVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-4-18(16-10-12-17(22-2)13-11-16)19(23(3,20)21)14-15-8-6-5-7-9-15/h5-13H,1,14H2,2-3H3.
What are the key properties of N-benzyl-N-[1-(4-methoxyphenyl)propa-1,2-dienyl]methanesulfonamide?
N-benzyl-N-[1-(4-methoxyphenyl)propa-1,2-dienyl]methanesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[1-(4-methoxyphenyl)propa-1,2-dienyl]methanesulfonamide is sourced from PubChem (CID 71530702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).