(Z)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylprop-2-en-1-one

C19H21NO3S — CID 139219575

IUPAC(Z)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylprop-2-en-1-one
SMILESCOc1cccc(S/C(=C\N(C)C)C(=O)c2cccc(OC)c2)c1
InChIInChI=1S/C19H21NO3S/c1-20(2)13-18(24-17-10-6-9-16(12-17)23-4)19(21)14-7-5-8-15(11-14)22-3/h5-13H,1-4H3/b18-13-
InChIKeyASGNQZHGBYZENS-AQTBWJFISA-N
MW343.45 g/mol
LogP4.08
Rot. Bonds7

About (Z)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylprop-2-en-1-one

(Z)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylprop-2-en-1-one (PubChem CID 139219575) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is (Z)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylprop-2-en-1-one
PubChem CID139219575
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name(Z)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylprop-2-en-1-one
SMILESCOc1cccc(S/C(=C\N(C)C)C(=O)c2cccc(OC)c2)c1
InChIInChI=1S/C19H21NO3S/c1-20(2)13-18(24-17-10-6-9-16(12-17)23-4)19(21)14-7-5-8-15(11-14)22-3/h5-13H,1-4H3/b18-13-
InChIKeyASGNQZHGBYZENS-AQTBWJFISA-N
XLogP4.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylprop-2-en-1-one 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

4-(dimethylamino)-3-(3-methoxyphenyl)but-3-en-2-one
CID 70412784
S-(3-methoxyphenyl) N,N-diethylcarbamothioate
CID 10847603
2-(3-methoxyphenyl)-2-oxoacetamide
CID 116924501
[(Z)-1-(dimethylamino)-3-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl] thiocyanate
CID 154722815
1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione
CID 18704760
1-(3-methoxyphenyl)-2-naphthalen-2-ylethane-1,2-dione
CID 170457473
2-chloro-1-(3-methoxyphenyl)prop-2-en-1-one
CID 23624440
2-(3-methoxyphenyl)-2-oxo-N-propan-2-ylacetamide
CID 82114479
N,N-dihydroxy-3-methoxybenzamide
CID 91426750
3-hydroxy-1,3-bis(3-methoxyphenyl)-2-methylprop-2-en-1-one
CID 27818254
2-(3-methoxyphenyl)sulfanylpropanedioic acid
CID 19596217
2,2-difluoro-1-(3-methoxyphenyl)ethanone
CID 91636166

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylprop-2-en-1-one?
The IUPAC name of (Z)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylprop-2-en-1-one (CID 139219575) is (Z)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylprop-2-en-1-one?
The canonical SMILES for (Z)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylprop-2-en-1-one is COc1cccc(S/C(=C\N(C)C)C(=O)c2cccc(OC)c2)c1.
What is the InChIKey of (Z)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylprop-2-en-1-one?
The InChIKey is ASGNQZHGBYZENS-AQTBWJFISA-N. The full InChI is InChI=1S/C19H21NO3S/c1-20(2)13-18(24-17-10-6-9-16(12-17)23-4)19(21)14-7-5-8-15(11-14)22-3/h5-13H,1-4H3/b18-13-.
What are the key properties of (Z)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylprop-2-en-1-one?
(Z)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylprop-2-en-1-one has a molecular weight of 343.45 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-(3-methoxyphenyl)sulfanylprop-2-en-1-one is sourced from PubChem (CID 139219575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).