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

C20H21N3O2S — CID 18120195

IUPACN-methyl-N-[2-(2-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESCc1ccccc1OCCN(C)C(=O)c1c[nH]c(=S)n1-c1ccccc1
InChIInChI=1S/C20H21N3O2S/c1-15-8-6-7-11-18(15)25-13-12-22(2)19(24)17-14-21-20(26)23(17)16-9-4-3-5-10-16/h3-11,14H,12-13H2,1-2H3,(H,21,26)
InChIKeyVLUHRRVSXBQDLV-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.99
Rot. Bonds6

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

N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide (PubChem CID 18120195) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
PubChem CID18120195
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-methyl-N-[2-(2-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESCc1ccccc1OCCN(C)C(=O)c1c[nH]c(=S)n1-c1ccccc1
InChIInChI=1S/C20H21N3O2S/c1-15-8-6-7-11-18(15)25-13-12-22(2)19(24)17-14-21-20(26)23(17)16-9-4-3-5-10-16/h3-11,14H,12-13H2,1-2H3,(H,21,26)
InChIKeyVLUHRRVSXBQDLV-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]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 24552206
4-chloro-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 18120198
N-methyl-N-[2-(2-methylphenoxy)ethyl]quinoline-2-carboxamide
CID 26979234
2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 103497587
N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 60675961
N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide
CID 51241769
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 54869692
2-(azetidin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 116676237
3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxylate
CID 7063948
N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-oxobutanamide
CID 54876653
N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18120203

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The IUPAC name of N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide (CID 18120195) is N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide is Cc1ccccc1OCCN(C)C(=O)c1c[nH]c(=S)n1-c1ccccc1.
What is the InChIKey of N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The InChIKey is VLUHRRVSXBQDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-15-8-6-7-11-18(15)25-13-12-22(2)19(24)17-14-21-20(26)23(17)16-9-4-3-5-10-16/h3-11,14H,12-13H2,1-2H3,(H,21,26).
What are the key properties of N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
N-methyl-N-[2-(2-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-(2-methylphenoxy)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide is sourced from PubChem (CID 18120195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).