2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylmethoxyacetamide

C19H19N3O3S — CID 18164735

IUPAC2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylmethoxyacetamide
SMILESCOc1cccc(-n2ccnc2SCC(=O)NOCc2ccccc2)c1
InChIInChI=1S/C19H19N3O3S/c1-24-17-9-5-8-16(12-17)22-11-10-20-19(22)26-14-18(23)21-25-13-15-6-3-2-4-7-15/h2-12H,13-14H2,1H3,(H,21,23)
InChIKeyNVUPHDNXQXBFPZ-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.22
Rot. Bonds8

About 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylmethoxyacetamide

2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylmethoxyacetamide (PubChem CID 18164735) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylmethoxyacetamide.

Molecular Properties

Compound Name2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylmethoxyacetamide
PubChem CID18164735
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylmethoxyacetamide
SMILESCOc1cccc(-n2ccnc2SCC(=O)NOCc2ccccc2)c1
InChIInChI=1S/C19H19N3O3S/c1-24-17-9-5-8-16(12-17)22-11-10-20-19(22)26-14-18(23)21-25-13-15-6-3-2-4-7-15/h2-12H,13-14H2,1H3,(H,21,23)
InChIKeyNVUPHDNXQXBFPZ-UHFFFAOYSA-N
XLogP3.22
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 30802274
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 18161587
5-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxamide
CID 39908176
N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 4092411
N-(dicyclopropylmethyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 32674724
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 51306584
3-[benzyl-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]propanamide
CID 41472991
N-carbamoyl-3-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 18277389
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(3-methylbutoxy)ethyl]acetamide
CID 55883837
N-[(3-fluoro-4-methylphenyl)methyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 41472985
2-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide
CID 18139090
N-(3-chloro-4-methylphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 5153434

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylmethoxyacetamide?
The IUPAC name of 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylmethoxyacetamide (CID 18164735) is 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylmethoxyacetamide.
What is the SMILES notation for 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylmethoxyacetamide?
The canonical SMILES for 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylmethoxyacetamide is COc1cccc(-n2ccnc2SCC(=O)NOCc2ccccc2)c1.
What is the InChIKey of 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylmethoxyacetamide?
The InChIKey is NVUPHDNXQXBFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-24-17-9-5-8-16(12-17)22-11-10-20-19(22)26-14-18(23)21-25-13-15-6-3-2-4-7-15/h2-12H,13-14H2,1H3,(H,21,23).
What are the key properties of 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylmethoxyacetamide?
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylmethoxyacetamide has a molecular weight of 369.45 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylmethoxyacetamide is sourced from PubChem (CID 18164735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).