2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide

C17H17N5O3S2 — CID 4840668

IUPAC2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
SMILESNn1cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H17N5O3S2/c18-22-10-15(12-4-2-1-3-5-12)21-17(22)26-11-16(23)20-13-6-8-14(9-7-13)27(19,24)25/h1-10H,11,18H2,(H,20,23)(H2,19,24,25)
InChIKeyYDQDZRKSHJFFPZ-UHFFFAOYSA-N
MW403.49 g/mol
LogP1.64
Rot. Bonds6

About 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide

2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide (PubChem CID 4840668) has the molecular formula C17H17N5O3S2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
PubChem CID4840668
Molecular FormulaC17H17N5O3S2
Molecular Weight403.49 g/mol
Exact Mass403.08
IUPAC Name2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
SMILESNn1cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H17N5O3S2/c18-22-10-15(12-4-2-1-3-5-12)21-17(22)26-11-16(23)20-13-6-8-14(9-7-13)27(19,24)25/h1-10H,11,18H2,(H,20,23)(H2,19,24,25)
InChIKeyYDQDZRKSHJFFPZ-UHFFFAOYSA-N
XLogP1.64
TPSA133.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide (CID 4840668) is 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide is Nn1cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is YDQDZRKSHJFFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S2/c18-22-10-15(12-4-2-1-3-5-12)21-17(22)26-11-16(23)20-13-6-8-14(9-7-13)27(19,24)25/h1-10H,11,18H2,(H,20,23)(H2,19,24,25).
What are the key properties of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 403.49 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 4840668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).