2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]acetamide

C17H20ClN3O3S — CID 97002264

IUPAC2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]acetamide
SMILESCc1c(Cl)cccc1-n1ccnc1SCC(=O)NC[C@@H]1COCCO1
InChIInChI=1S/C17H20ClN3O3S/c1-12-14(18)3-2-4-15(12)21-6-5-19-17(21)25-11-16(22)20-9-13-10-23-7-8-24-13/h2-6,13H,7-11H2,1H3,(H,20,22)/t13-/m1/s1
InChIKeyGHIOZKJHNKBZPP-CYBMUJFWSA-N
MW381.89 g/mol
LogP2.46
Rot. Bonds6

About 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]acetamide

2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]acetamide (PubChem CID 97002264) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]acetamide
PubChem CID97002264
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC Name2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]acetamide
SMILESCc1c(Cl)cccc1-n1ccnc1SCC(=O)NC[C@@H]1COCCO1
InChIInChI=1S/C17H20ClN3O3S/c1-12-14(18)3-2-4-15(12)21-6-5-19-17(21)25-11-16(22)20-9-13-10-23-7-8-24-13/h2-6,13H,7-11H2,1H3,(H,20,22)/t13-/m1/s1
InChIKeyGHIOZKJHNKBZPP-CYBMUJFWSA-N
XLogP2.46
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]acetamide with MolForge

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Related Compounds

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',N'-dimethylacetohydrazide
CID 9180118
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-(5-chloro-2-pyridinyl)acetamide
CID 24530947
N-(3-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40684960
2-[[4-(3-chloro-2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2594963
N-(4-acetamido-2-chlorophenyl)-2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 86885181
N-[(4-benzylmorpholin-2-yl)methyl]-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 24580305
N-[[5-[2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide
CID 47024740
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 87043617
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylbutyl)acetamide
CID 41459858
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111463207

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]acetamide?
The IUPAC name of 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]acetamide (CID 97002264) is 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]acetamide is Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NC[C@@H]1COCCO1.
What is the InChIKey of 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]acetamide?
The InChIKey is GHIOZKJHNKBZPP-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-12-14(18)3-2-4-15(12)21-6-5-19-17(21)25-11-16(22)20-9-13-10-23-7-8-24-13/h2-6,13H,7-11H2,1H3,(H,20,22)/t13-/m1/s1.
What are the key properties of 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]acetamide?
2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]acetamide has a molecular weight of 381.89 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]acetamide is sourced from PubChem (CID 97002264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).