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

C20H21N3O2S — CID 24552206

IUPACN-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESCc1cccc(OCCN(C)C(=O)c2c[nH]c(=S)n2-c2ccccc2)c1
InChIInChI=1S/C20H21N3O2S/c1-15-7-6-10-17(13-15)25-12-11-22(2)19(24)18-14-21-20(26)23(18)16-8-4-3-5-9-16/h3-10,13-14H,11-12H2,1-2H3,(H,21,26)
InChIKeyOZEQUIHWQDZJGE-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.99
Rot. Bonds6

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

N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide (PubChem CID 24552206) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
PubChem CID24552206
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESCc1cccc(OCCN(C)C(=O)c2c[nH]c(=S)n2-c2ccccc2)c1
InChIInChI=1S/C20H21N3O2S/c1-15-7-6-10-17(13-15)25-12-11-22(2)19(24)18-14-21-20(26)23(18)16-8-4-3-5-9-16/h3-10,13-14H,11-12H2,1-2H3,(H,21,26)
InChIKeyOZEQUIHWQDZJGE-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-(4-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 18119314
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
N-methyl-N-[2-(3-methylphenoxy)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103337273
3-bromo-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 24517248
N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 60676012
5-bromo-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-2-carboxamide
CID 62954256
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-phenylpropanamide
CID 119695657
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-phenoxypyridine-3-carboxamide
CID 55431158
2-ethylsulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 51241861
N,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-indole-2-carboxamide
CID 36753631
2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62492492
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 31667105

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The IUPAC name of N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide (CID 24552206) is N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide is Cc1cccc(OCCN(C)C(=O)c2c[nH]c(=S)n2-c2ccccc2)c1.
What is the InChIKey of N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The InChIKey is OZEQUIHWQDZJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-15-7-6-10-17(13-15)25-12-11-22(2)19(24)18-14-21-20(26)23(18)16-8-4-3-5-9-16/h3-10,13-14H,11-12H2,1-2H3,(H,21,26).
What are the key properties of N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
N-methyl-N-[2-(3-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-(3-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide is sourced from PubChem (CID 24552206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).