2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide

C18H18N4O3S2 — CID 6500458

IUPAC2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
SMILESCc1[nH]c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc1-c1ccccc1
InChIInChI=1S/C18H18N4O3S2/c1-12-17(13-5-3-2-4-6-13)22-18(20-12)26-11-16(23)21-14-7-9-15(10-8-14)27(19,24)25/h2-10H,11H2,1H3,(H,20,22)(H,21,23)(H2,19,24,25)
InChIKeyUNGSIICHGSLFFX-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.76
Rot. Bonds6

About 2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide

2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 6500458) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID6500458
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC Name2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
SMILESCc1[nH]c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc1-c1ccccc1
InChIInChI=1S/C18H18N4O3S2/c1-12-17(13-5-3-2-4-6-13)22-18(20-12)26-11-16(23)21-14-7-9-15(10-8-14)27(19,24)25/h2-10H,11H2,1H3,(H,20,22)(H,21,23)(H2,19,24,25)
InChIKeyUNGSIICHGSLFFX-UHFFFAOYSA-N
XLogP2.76
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 17138635
2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 135410559
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 4168509
2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 6324505
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide
CID 1286376
N-(4-methylsulfonylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 35040321
N-(2-bromo-4-sulfamoylphenyl)-2-[(5-cyano-6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 177377043
N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]-2-phenylacetamide
CID 23094842
2-naphthalen-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 2225782
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 25049653
2-methyl-5-phenyl-N-(4-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
CID 43854628
2-(2-bromophenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 27087506

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide (CID 6500458) is 2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide is Cc1[nH]c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc1-c1ccccc1.
What is the InChIKey of 2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is UNGSIICHGSLFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c1-12-17(13-5-3-2-4-6-13)22-18(20-12)26-11-16(23)21-14-7-9-15(10-8-14)27(19,24)25/h2-10H,11H2,1H3,(H,20,22)(H,21,23)(H2,19,24,25).
What are the key properties of 2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 402.50 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-4-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 6500458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).