N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(4-nonylsulfanylphenyl)prop-2-enamide

C28H34N2O2S2 — CID 90784700

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(4-nonylsulfanylphenyl)prop-2-enamide
SMILESC=CC(=O)N(c1ccc(SCCCCCCCCC)cc1)c1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C28H34N2O2S2/c1-4-6-7-8-9-10-11-20-33-25-18-14-23(15-19-25)30(27(31)5-2)28-29-26(21-34-28)22-12-16-24(32-3)17-13-22/h5,12-19,21H,2,4,6-11,20H2,1,3H3
InChIKeyYADNWGFGEBKDOE-UHFFFAOYSA-N
MW494.73 g/mol
LogP8.51
Rot. Bonds14

About N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(4-nonylsulfanylphenyl)prop-2-enamide

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(4-nonylsulfanylphenyl)prop-2-enamide (PubChem CID 90784700) has the molecular formula C28H34N2O2S2 and a molecular weight of 494.73 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(4-nonylsulfanylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(4-nonylsulfanylphenyl)prop-2-enamide
PubChem CID90784700
Molecular FormulaC28H34N2O2S2
Molecular Weight494.73 g/mol
Exact Mass494.21
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(4-nonylsulfanylphenyl)prop-2-enamide
SMILESC=CC(=O)N(c1ccc(SCCCCCCCCC)cc1)c1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C28H34N2O2S2/c1-4-6-7-8-9-10-11-20-33-25-18-14-23(15-19-25)30(27(31)5-2)28-29-26(21-34-28)22-12-16-24(32-3)17-13-22/h5,12-19,21H,2,4,6-11,20H2,1,3H3
InChIKeyYADNWGFGEBKDOE-UHFFFAOYSA-N
XLogP8.51
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.73
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(4-nonylsulfanylphenyl)prop-2-enamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(4-nonylsulfanylphenyl)prop-2-enamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(4-nonylsulfanylphenyl)prop-2-enamide (CID 90784700) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(4-nonylsulfanylphenyl)prop-2-enamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(4-nonylsulfanylphenyl)prop-2-enamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(4-nonylsulfanylphenyl)prop-2-enamide is C=CC(=O)N(c1ccc(SCCCCCCCCC)cc1)c1nc(-c2ccc(OC)cc2)cs1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(4-nonylsulfanylphenyl)prop-2-enamide?
The InChIKey is YADNWGFGEBKDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2S2/c1-4-6-7-8-9-10-11-20-33-25-18-14-23(15-19-25)30(27(31)5-2)28-29-26(21-34-28)22-12-16-24(32-3)17-13-22/h5,12-19,21H,2,4,6-11,20H2,1,3H3.
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(4-nonylsulfanylphenyl)prop-2-enamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(4-nonylsulfanylphenyl)prop-2-enamide has a molecular weight of 494.73 g/mol, XLogP of 8.51, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(4-nonylsulfanylphenyl)prop-2-enamide is sourced from PubChem (CID 90784700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).