2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C17H20ClN3O2S — CID 41250637

IUPAC2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1c(Cl)cccc1-n1ccnc1SCC(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C17H20ClN3O2S/c1-12-14(18)5-2-6-15(12)21-8-7-19-17(21)24-11-16(22)20-10-13-4-3-9-23-13/h2,5-8,13H,3-4,9-11H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyNIQNAAUFGMQUND-ZDUSSCGKSA-N
MW365.89 g/mol
LogP3.22
Rot. Bonds6

About 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 41250637) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID41250637
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1c(Cl)cccc1-n1ccnc1SCC(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C17H20ClN3O2S/c1-12-14(18)5-2-6-15(12)21-8-7-19-17(21)24-11-16(22)20-10-13-4-3-9-23-13/h2,5-8,13H,3-4,9-11H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyNIQNAAUFGMQUND-ZDUSSCGKSA-N
XLogP3.22
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide with MolForge

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Related Compounds

2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]acetamide
CID 97002264
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
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
2-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 41459678
2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2519146
2-[[5-(2-chlorophenyl)-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2462182
N-[(4-benzylmorpholin-2-yl)methyl]-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 24580305
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 9378471
N-[[5-[2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetyl]thiophen-2-yl]methyl]acetamide
CID 47024740
3-(3-chloro-2-methylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015906

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 41250637) is 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide is Cc1c(Cl)cccc1-n1ccnc1SCC(=O)NC[C@@H]1CCCO1.
What is the InChIKey of 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is NIQNAAUFGMQUND-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c1-12-14(18)5-2-6-15(12)21-8-7-19-17(21)24-11-16(22)20-10-13-4-3-9-23-13/h2,5-8,13H,3-4,9-11H2,1H3,(H,20,22)/t13-/m0/s1.
What are the key properties of 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 365.89 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 41250637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).