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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548
N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 125115855
N-benzyl-2-methyl-N-methylsulfonylpropanamide
CID 124927817
(2S)-N,N-dibenzyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1004340
N-[(4-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1118173
N-benzyl-N-(2-bromoethyl)-4-methoxybenzamide
CID 80656055
N,N-dibenzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 126373552
4-[benzyl(methylsulfonyl)amino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100729465
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
2-phenylethyl 2-(4-methoxyphenyl)-2-oxoacetate
CID 135066132
1-(4-methoxyphenyl)-2-methylbuta-2,3-dien-1-one
CID 101128425

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).