N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide

C20H21N3O2S — CID 18119314

IUPACN-methyl-N-[2-(4-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESCc1ccc(OCCN(C)C(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1
InChIInChI=1S/C20H21N3O2S/c1-15-8-10-17(11-9-15)25-13-12-22(2)19(24)18-14-21-20(26)23(18)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,21,26)
InChIKeyWYKOITQDNHBXSR-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.99
Rot. Bonds6

About N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide

N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide (PubChem CID 18119314) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
PubChem CID18119314
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-methyl-N-[2-(4-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESCc1ccc(OCCN(C)C(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1
InChIInChI=1S/C20H21N3O2S/c1-15-8-10-17(11-9-15)25-13-12-22(2)19(24)18-14-21-20(26)23(18)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,21,26)
InChIKeyWYKOITQDNHBXSR-UHFFFAOYSA-N
XLogP3.99
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 24552206
N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 18120195
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 61139584
3-benzyl-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea
CID 27533745
N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 34472485
N-methyl-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-phenoxyethyl)propanamide
CID 27822218
3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxylate
CID 7063948
4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676165
1-methyl-3-[(4-methylphenyl)methyl]-1-(2-phenoxyethyl)urea
CID 27517654
3-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
CID 119695394
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 54869918

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide (CID 18119314) is N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide is Cc1ccc(OCCN(C)C(=O)c2c[nH]c(=S)n2-c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The InChIKey is WYKOITQDNHBXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-15-8-10-17(11-9-15)25-13-12-22(2)19(24)18-14-21-20(26)23(18)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,21,26).
What are the key properties of N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide is sourced from PubChem (CID 18119314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).