2-(methylamino)-N-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]acetamide

C15H18N4O5S2 — CID 10810883

IUPAC2-(methylamino)-N-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]acetamide
SMILESCNCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C15H18N4O5S2/c1-17-10-15(20)18-11-5-7-13(8-6-11)26(23,24)19-12-3-2-4-14(9-12)25(16,21)22/h2-9,17,19H,10H2,1H3,(H,18,20)(H2,16,21,22)
InChIKeyHGPXIKRAJDHPJF-UHFFFAOYSA-N
MW398.47 g/mol
LogP0.29
Rot. Bonds7

About 2-(methylamino)-N-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]acetamide

2-(methylamino)-N-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 10810883) has the molecular formula C15H18N4O5S2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-(methylamino)-N-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]acetamide
PubChem CID10810883
Molecular FormulaC15H18N4O5S2
Molecular Weight398.47 g/mol
Exact Mass398.07
IUPAC Name2-(methylamino)-N-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]acetamide
SMILESCNCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C15H18N4O5S2/c1-17-10-15(20)18-11-5-7-13(8-6-11)26(23,24)19-12-3-2-4-14(9-12)25(16,21)22/h2-9,17,19H,10H2,1H3,(H,18,20)(H2,16,21,22)
InChIKeyHGPXIKRAJDHPJF-UHFFFAOYSA-N
XLogP0.29
TPSA147.46 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]acetamide (CID 10810883) is 2-(methylamino)-N-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]acetamide is CNCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of 2-(methylamino)-N-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is HGPXIKRAJDHPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O5S2/c1-17-10-15(20)18-11-5-7-13(8-6-11)26(23,24)19-12-3-2-4-14(9-12)25(16,21)22/h2-9,17,19H,10H2,1H3,(H,18,20)(H2,16,21,22).
What are the key properties of 2-(methylamino)-N-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]acetamide?
2-(methylamino)-N-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 398.47 g/mol, XLogP of 0.29, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[4-[(3-sulfamoylphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 10810883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).