N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide

C20H21N3O3S — CID 4092411

IUPACN-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1nccn1-c1cccc(OC)c1
InChIInChI=1S/C20H21N3O3S/c1-3-26-18-10-5-4-9-17(18)22-19(24)14-27-20-21-11-12-23(20)15-7-6-8-16(13-15)25-2/h4-13H,3,14H2,1-2H3,(H,22,24)
InChIKeyLDPLARDYHNDAKX-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.01
Rot. Bonds8

About N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide

N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 4092411) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID4092411
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1nccn1-c1cccc(OC)c1
InChIInChI=1S/C20H21N3O3S/c1-3-26-18-10-5-4-9-17(18)22-19(24)14-27-20-21-11-12-23(20)15-7-6-8-16(13-15)25-2/h4-13H,3,14H2,1-2H3,(H,22,24)
InChIKeyLDPLARDYHNDAKX-UHFFFAOYSA-N
XLogP4.01
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 30802274
N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51235651
2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 3674449
N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 3636346
2-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide
CID 18139090
5-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxamide
CID 39908176
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 4049491
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 5223295
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 30802090
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylmethoxyacetamide
CID 18164735
N-(3-chloro-4-methylphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 5153434
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 18161587

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (CID 4092411) is N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is CCOc1ccccc1NC(=O)CSc1nccn1-c1cccc(OC)c1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is LDPLARDYHNDAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-3-26-18-10-5-4-9-17(18)22-19(24)14-27-20-21-11-12-23(20)15-7-6-8-16(13-15)25-2/h4-13H,3,14H2,1-2H3,(H,22,24).
What are the key properties of N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 383.47 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 4092411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).