N-tert-butyl-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide

C15H18ClN3OS — CID 17458683

IUPACN-tert-butyl-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
SMILESCC(C)(C)NC(=O)CSc1nccn1-c1cccc(Cl)c1
InChIInChI=1S/C15H18ClN3OS/c1-15(2,3)18-13(20)10-21-14-17-7-8-19(14)12-6-4-5-11(16)9-12/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyDECMTFSLJMRVOR-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.53
Rot. Bonds4

About N-tert-butyl-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide

N-tert-butyl-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 17458683) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is N-tert-butyl-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID17458683
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC NameN-tert-butyl-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
SMILESCC(C)(C)NC(=O)CSc1nccn1-c1cccc(Cl)c1
InChIInChI=1S/C15H18ClN3OS/c1-15(2,3)18-13(20)10-21-14-17-7-8-19(14)12-6-4-5-11(16)9-12/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyDECMTFSLJMRVOR-UHFFFAOYSA-N
XLogP3.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 4061693
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36621913
1-(3-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)imidazole
CID 47134933
4-chloro-N'-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide
CID 46811521
N-tert-butyl-2-[[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide
CID 40670232
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide
CID 29484884
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9263793
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-1-(4-methoxyphenyl)ethanone
CID 33299887
N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 43026580
N-butyl-4-[2-[2-(tert-butylamino)-2-oxoethyl]sulfanylimidazol-1-yl]benzamide
CID 53082358
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 25406211
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 29484698

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-tert-butyl-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide (CID 17458683) is N-tert-butyl-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-tert-butyl-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-tert-butyl-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide is CC(C)(C)NC(=O)CSc1nccn1-c1cccc(Cl)c1.
What is the InChIKey of N-tert-butyl-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is DECMTFSLJMRVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-15(2,3)18-13(20)10-21-14-17-7-8-19(14)12-6-4-5-11(16)9-12/h4-9H,10H2,1-3H3,(H,18,20).
What are the key properties of N-tert-butyl-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide?
N-tert-butyl-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 323.85 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 17458683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).