N-[4-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]phenyl]acetamide

C14H16N4O4S — CID 18092838

IUPACN-[4-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cccn2C)cc1
InChIInChI=1S/C14H16N4O4S/c1-10(19)15-11-5-7-12(8-6-11)23(21,22)17-16-14(20)13-4-3-9-18(13)2/h3-9,17H,1-2H3,(H,15,19)(H,16,20)
InChIKeyJLRQJGOZWIHNMX-UHFFFAOYSA-N
MW336.37 g/mol
LogP0.61
Rot. Bonds5

About N-[4-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]phenyl]acetamide

N-[4-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]phenyl]acetamide (PubChem CID 18092838) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[4-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]phenyl]acetamide
PubChem CID18092838
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC NameN-[4-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cccn2C)cc1
InChIInChI=1S/C14H16N4O4S/c1-10(19)15-11-5-7-12(8-6-11)23(21,22)17-16-14(20)13-4-3-9-18(13)2/h3-9,17H,1-2H3,(H,15,19)(H,16,20)
InChIKeyJLRQJGOZWIHNMX-UHFFFAOYSA-N
XLogP0.61
TPSA109.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]phenyl]acetamide (CID 18092838) is N-[4-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cccn2C)cc1.
What is the InChIKey of N-[4-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]phenyl]acetamide?
The InChIKey is JLRQJGOZWIHNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S/c1-10(19)15-11-5-7-12(8-6-11)23(21,22)17-16-14(20)13-4-3-9-18(13)2/h3-9,17H,1-2H3,(H,15,19)(H,16,20).
What are the key properties of N-[4-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]phenyl]acetamide?
N-[4-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]phenyl]acetamide has a molecular weight of 336.37 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 18092838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).