2-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide

C25H22N4O3S — CID 41434287

IUPAC2-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide
SMILESCOc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H22N4O3S/c1-32-20-13-11-19(12-14-20)29-16-15-26-25(29)33-17-23(30)28-22-10-6-5-9-21(22)24(31)27-18-7-3-2-4-8-18/h2-16H,17H2,1H3,(H,27,31)(H,28,30)
InChIKeyQPHCVWRUJJQJRC-UHFFFAOYSA-N
MW458.54 g/mol
LogP4.86
Rot. Bonds8

About 2-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide

2-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide (PubChem CID 41434287) has the molecular formula C25H22N4O3S and a molecular weight of 458.54 g/mol. Its IUPAC name is 2-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide
PubChem CID41434287
Molecular FormulaC25H22N4O3S
Molecular Weight458.54 g/mol
Exact Mass458.14
IUPAC Name2-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide
SMILESCOc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H22N4O3S/c1-32-20-13-11-19(12-14-20)29-16-15-26-25(29)33-17-23(30)28-22-10-6-5-9-21(22)24(31)27-18-7-3-2-4-8-18/h2-16H,17H2,1H3,(H,27,31)(H,28,30)
InChIKeyQPHCVWRUJJQJRC-UHFFFAOYSA-N
XLogP4.86
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 3636346
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 40518450
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 4120310
N-(4-bromophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 4119542
2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 3674449
2-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide
CID 18139090
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 17434238
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 4049491
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 30802274
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 18161950
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide
CID 46812280
N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 4092411

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide (CID 41434287) is 2-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide is COc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide?
The InChIKey is QPHCVWRUJJQJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3S/c1-32-20-13-11-19(12-14-20)29-16-15-26-25(29)33-17-23(30)28-22-10-6-5-9-21(22)24(31)27-18-7-3-2-4-8-18/h2-16H,17H2,1H3,(H,27,31)(H,28,30).
What are the key properties of 2-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide?
2-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide has a molecular weight of 458.54 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 41434287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).