N-(3-chloro-4-methylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide

C17H16ClN3O2S — CID 7151120

IUPACN-(3-chloro-4-methylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nccn2Cc2ccco2)cc1Cl
InChIInChI=1S/C17H16ClN3O2S/c1-12-4-5-13(9-15(12)18)20-16(22)11-24-17-19-6-7-21(17)10-14-3-2-8-23-14/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyUOGPIXLFSYTSHS-UHFFFAOYSA-N
MW361.85 g/mol
LogP4.22
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide

N-(3-chloro-4-methylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 7151120) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide
PubChem CID7151120
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nccn2Cc2ccco2)cc1Cl
InChIInChI=1S/C17H16ClN3O2S/c1-12-4-5-13(9-15(12)18)20-16(22)11-24-17-19-6-7-21(17)10-14-3-2-8-23-14/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyUOGPIXLFSYTSHS-UHFFFAOYSA-N
XLogP4.22
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 7151116
N-(4-acetylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide
CID 7151131
N-(3-chloro-4-methylphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 5153434
2-[3-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-5-(furan-2-yl)-1,2,4-triazol-4-yl]acetamide
CID 31026138
2-(2-aminophenyl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide
CID 6486794
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 6403909
N-(3-chlorophenyl)-2-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 22585503
N-(3,4-dimethylphenyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1143671
N-(4-acetamidophenyl)-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 7151038
2-(1-ethylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 42253982
N-(3,4-dichlorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 4119321
N-(3-chloro-4-methylphenyl)-2-[[4-(furan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 16580558

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide (CID 7151120) is N-(3-chloro-4-methylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide is Cc1ccc(NC(=O)CSc2nccn2Cc2ccco2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is UOGPIXLFSYTSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c1-12-4-5-13(9-15(12)18)20-16(22)11-24-17-19-6-7-21(17)10-14-3-2-8-23-14/h2-9H,10-11H2,1H3,(H,20,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
N-(3-chloro-4-methylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 361.85 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 7151120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).