N-[2-[5-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]ethyl]acetamide

C19H18ClN3O2S2 — CID 33295554

IUPACN-[2-[5-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)CSc2nccn2-c2ccc(Cl)cc2)s1
InChIInChI=1S/C19H18ClN3O2S2/c1-13(24)21-9-8-16-6-7-18(27-16)17(25)12-26-19-22-10-11-23(19)15-4-2-14(20)3-5-15/h2-7,10-11H,8-9,12H2,1H3,(H,21,24)
InChIKeyVQXUJFFCXOLHKV-UHFFFAOYSA-N
MW419.96 g/mol
LogP4.24
Rot. Bonds8

About N-[2-[5-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]ethyl]acetamide

N-[2-[5-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]ethyl]acetamide (PubChem CID 33295554) has the molecular formula C19H18ClN3O2S2 and a molecular weight of 419.96 g/mol. Its IUPAC name is N-[2-[5-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]ethyl]acetamide
PubChem CID33295554
Molecular FormulaC19H18ClN3O2S2
Molecular Weight419.96 g/mol
Exact Mass419.05
IUPAC NameN-[2-[5-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)CSc2nccn2-c2ccc(Cl)cc2)s1
InChIInChI=1S/C19H18ClN3O2S2/c1-13(24)21-9-8-16-6-7-18(27-16)17(25)12-26-19-22-10-11-23(19)15-4-2-14(20)3-5-15/h2-7,10-11H,8-9,12H2,1H3,(H,21,24)
InChIKeyVQXUJFFCXOLHKV-UHFFFAOYSA-N
XLogP4.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.96
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]ethyl]acetamide (CID 33295554) is N-[2-[5-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]ethyl]acetamide is CC(=O)NCCc1ccc(C(=O)CSc2nccn2-c2ccc(Cl)cc2)s1.
What is the InChIKey of N-[2-[5-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]ethyl]acetamide?
The InChIKey is VQXUJFFCXOLHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S2/c1-13(24)21-9-8-16-6-7-18(27-16)17(25)12-26-19-22-10-11-23(19)15-4-2-14(20)3-5-15/h2-7,10-11H,8-9,12H2,1H3,(H,21,24).
What are the key properties of N-[2-[5-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]ethyl]acetamide?
N-[2-[5-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]ethyl]acetamide has a molecular weight of 419.96 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]ethyl]acetamide is sourced from PubChem (CID 33295554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).