N-[[5-[2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide

C19H18ClN3O2S2 — CID 47024740

IUPACN-[[5-[2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)CSc2nccn2-c2cccc(Cl)c2C)s1
InChIInChI=1S/C19H18ClN3O2S2/c1-12-15(20)4-3-5-16(12)23-9-8-21-19(23)26-11-17(25)18-7-6-14(27-18)10-22-13(2)24/h3-9H,10-11H2,1-2H3,(H,22,24)
InChIKeyHFPZIKSGDSLRII-UHFFFAOYSA-N
MW419.96 g/mol
LogP4.51
Rot. Bonds7

About N-[[5-[2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide

N-[[5-[2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide (PubChem CID 47024740) has the molecular formula C19H18ClN3O2S2 and a molecular weight of 419.96 g/mol. Its IUPAC name is N-[[5-[2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide
PubChem CID47024740
Molecular FormulaC19H18ClN3O2S2
Molecular Weight419.96 g/mol
Exact Mass419.05
IUPAC NameN-[[5-[2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)CSc2nccn2-c2cccc(Cl)c2C)s1
InChIInChI=1S/C19H18ClN3O2S2/c1-12-15(20)4-3-5-16(12)23-9-8-21-19(23)26-11-17(25)18-7-6-14(27-18)10-22-13(2)24/h3-9H,10-11H2,1-2H3,(H,22,24)
InChIKeyHFPZIKSGDSLRII-UHFFFAOYSA-N
XLogP4.51
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.96
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N',N'-dimethylacetohydrazide
CID 9180118
N-[2-[5-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 33299497
N-(4-acetamido-2-chlorophenyl)-2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 86885181
N-[2-[5-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]ethyl]acetamide
CID 33342208
2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-(5-chloro-2-pyridinyl)acetamide
CID 24530947
2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-(dicyclopropylmethyl)acetamide
CID 33459211
2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41250637
2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]acetamide
CID 97002264
N-(3-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40684960
N-[[5-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetyl]thiophen-2-yl]methyl]acetamide
CID 8521426
2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-(cyanomethyl)-N-phenylacetamide
CID 46812354
N-[[5-[2-(2-chlorophenyl)sulfanylacetyl]thiophen-2-yl]methyl]-2,2-dimethylpropanamide
CID 8510309

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide (CID 47024740) is N-[[5-[2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(C(=O)CSc2nccn2-c2cccc(Cl)c2C)s1.
What is the InChIKey of N-[[5-[2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is HFPZIKSGDSLRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S2/c1-12-15(20)4-3-5-16(12)23-9-8-21-19(23)26-11-17(25)18-7-6-14(27-18)10-22-13(2)24/h3-9H,10-11H2,1-2H3,(H,22,24).
What are the key properties of N-[[5-[2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 419.96 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 47024740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).