2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(3-methylbutoxy)ethyl]acetamide

C19H27N3O3S — CID 55883837

IUPAC2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(3-methylbutoxy)ethyl]acetamide
SMILESCOc1cccc(-n2ccnc2SCC(=O)NCCOCCC(C)C)c1
InChIInChI=1S/C19H27N3O3S/c1-15(2)7-11-25-12-9-20-18(23)14-26-19-21-8-10-22(19)16-5-4-6-17(13-16)24-3/h4-6,8,10,13,15H,7,9,11-12,14H2,1-3H3,(H,20,23)
InChIKeyNOTOPDHMMPXGEW-UHFFFAOYSA-N
MW377.51 g/mol
LogP3.15
Rot. Bonds11

About 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(3-methylbutoxy)ethyl]acetamide

2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(3-methylbutoxy)ethyl]acetamide (PubChem CID 55883837) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(3-methylbutoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(3-methylbutoxy)ethyl]acetamide
PubChem CID55883837
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(3-methylbutoxy)ethyl]acetamide
SMILESCOc1cccc(-n2ccnc2SCC(=O)NCCOCCC(C)C)c1
InChIInChI=1S/C19H27N3O3S/c1-15(2)7-11-25-12-9-20-18(23)14-26-19-21-8-10-22(19)16-5-4-6-17(13-16)24-3/h4-6,8,10,13,15H,7,9,11-12,14H2,1-3H3,(H,20,23)
InChIKeyNOTOPDHMMPXGEW-UHFFFAOYSA-N
XLogP3.15
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 18161587
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 51306584
N-[(3-fluoro-4-methylphenyl)methyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 41472985
N-(dicyclopropylmethyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 32674724
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylmethoxyacetamide
CID 18164735
2-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide
CID 18139090
N-[2-(1H-indol-3-yl)ethyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 17435052
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 30802274
N-[2-(4-ethoxyphenoxy)ethyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40670318
N-(3-chloro-4-methylphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 5153434
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(3-methylbutoxy)ethyl]acetamide?
The IUPAC name of 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(3-methylbutoxy)ethyl]acetamide (CID 55883837) is 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(3-methylbutoxy)ethyl]acetamide.
What is the SMILES notation for 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(3-methylbutoxy)ethyl]acetamide?
The canonical SMILES for 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(3-methylbutoxy)ethyl]acetamide is COc1cccc(-n2ccnc2SCC(=O)NCCOCCC(C)C)c1.
What is the InChIKey of 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(3-methylbutoxy)ethyl]acetamide?
The InChIKey is NOTOPDHMMPXGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-15(2)7-11-25-12-9-20-18(23)14-26-19-21-8-10-22(19)16-5-4-6-17(13-16)24-3/h4-6,8,10,13,15H,7,9,11-12,14H2,1-3H3,(H,20,23).
What are the key properties of 2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(3-methylbutoxy)ethyl]acetamide?
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(3-methylbutoxy)ethyl]acetamide has a molecular weight of 377.51 g/mol, XLogP of 3.15, 11 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-[2-(3-methylbutoxy)ethyl]acetamide is sourced from PubChem (CID 55883837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).