N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-phenylprop-2-enamide

C30H31N3OS — CID 4683494

IUPACN-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-phenylprop-2-enamide
SMILESCCCn1c(SCCCNC(=O)C=Cc2ccccc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H31N3OS/c1-2-22-33-29(26-17-10-5-11-18-26)28(25-15-8-4-9-16-25)32-30(33)35-23-12-21-31-27(34)20-19-24-13-6-3-7-14-24/h3-11,13-20H,2,12,21-23H2,1H3,(H,31,34)
InChIKeyHTNLPCIZSFAZBN-UHFFFAOYSA-N
MW481.67 g/mol
LogP6.94
Rot. Bonds11

About N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-phenylprop-2-enamide

N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-phenylprop-2-enamide (PubChem CID 4683494) has the molecular formula C30H31N3OS and a molecular weight of 481.67 g/mol. Its IUPAC name is N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-phenylprop-2-enamide
PubChem CID4683494
Molecular FormulaC30H31N3OS
Molecular Weight481.67 g/mol
Exact Mass481.22
IUPAC NameN-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-phenylprop-2-enamide
SMILESCCCn1c(SCCCNC(=O)C=Cc2ccccc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H31N3OS/c1-2-22-33-29(26-17-10-5-11-18-26)28(25-15-8-4-9-16-25)32-30(33)35-23-12-21-31-27(34)20-19-24-13-6-3-7-14-24/h3-11,13-20H,2,12,21-23H2,1H3,(H,31,34)
InChIKeyHTNLPCIZSFAZBN-UHFFFAOYSA-N
XLogP6.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.67
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-phenylprop-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

Related Compounds

N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-methylbutanamide
CID 4238393
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-4-fluorobenzamide
CID 5137693
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-2-ethylhexanamide
CID 3880800
N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]-2-phenylbutanamide
CID 3693436
N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]-4-pentylbenzamide
CID 4534418
3-chloro-N-[2-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylethyl]-2,2-dimethylpropanamide
CID 3556679
N-[3-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylpropyl]propanamide
CID 4553350
5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-pentylpentanamide
CID 3280619
2-benzylsulfanyl-4,5-diphenyl-1-propylimidazole
CID 3323531
4-ethyl-N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]benzamide
CID 42725819
N-[3-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylpropyl]-3,4-dichlorobenzamide
CID 3925766
3-phenyl-N-(3-pyridin-4-ylsulfanylpropyl)prop-2-enamide;hydrochloride
CID 67653231

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-phenylprop-2-enamide (CID 4683494) is N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-phenylprop-2-enamide is CCCn1c(SCCCNC(=O)C=Cc2ccccc2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-phenylprop-2-enamide?
The InChIKey is HTNLPCIZSFAZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3OS/c1-2-22-33-29(26-17-10-5-11-18-26)28(25-15-8-4-9-16-25)32-30(33)35-23-12-21-31-27(34)20-19-24-13-6-3-7-14-24/h3-11,13-20H,2,12,21-23H2,1H3,(H,31,34).
What are the key properties of N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-phenylprop-2-enamide?
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-phenylprop-2-enamide has a molecular weight of 481.67 g/mol, XLogP of 6.94, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 4683494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).