2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide

C24H23N3O2S2 — CID 46826238

IUPAC2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
SMILESCOc1ccc(-n2ccnc2SCC(=O)NC(c2ccc(C)cc2)c2cccs2)cc1
InChIInChI=1S/C24H23N3O2S2/c1-17-5-7-18(8-6-17)23(21-4-3-15-30-21)26-22(28)16-31-24-25-13-14-27(24)19-9-11-20(29-2)12-10-19/h3-15,23H,16H2,1-2H3,(H,26,28)
InChIKeyUMPQPLKEDYPHTA-UHFFFAOYSA-N
MW449.60 g/mol
LogP5.25
Rot. Bonds8

About 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide

2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide (PubChem CID 46826238) has the molecular formula C24H23N3O2S2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
PubChem CID46826238
Molecular FormulaC24H23N3O2S2
Molecular Weight449.60 g/mol
Exact Mass449.12
IUPAC Name2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
SMILESCOc1ccc(-n2ccnc2SCC(=O)NC(c2ccc(C)cc2)c2cccs2)cc1
InChIInChI=1S/C24H23N3O2S2/c1-17-5-7-18(8-6-17)23(21-4-3-15-30-21)26-22(28)16-31-24-25-13-14-27(24)19-9-11-20(29-2)12-10-19/h3-15,23H,16H2,1-2H3,(H,26,28)
InChIKeyUMPQPLKEDYPHTA-UHFFFAOYSA-N
XLogP5.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.60
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 4120310
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 18161950
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
CID 8002476
2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 24519371
N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 3636346
2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 46824564
N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55904547
N-(4-bromophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 4119542
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51727048
N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 18291690
(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 27959873
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 46824508

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide (CID 46826238) is 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide is COc1ccc(-n2ccnc2SCC(=O)NC(c2ccc(C)cc2)c2cccs2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?
The InChIKey is UMPQPLKEDYPHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S2/c1-17-5-7-18(8-6-17)23(21-4-3-15-30-21)26-22(28)16-31-24-25-13-14-27(24)19-9-11-20(29-2)12-10-19/h3-15,23H,16H2,1-2H3,(H,26,28).
What are the key properties of 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide has a molecular weight of 449.60 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide is sourced from PubChem (CID 46826238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).