2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-sulfamoylphenyl)acetamide

C16H17FN4O4S — CID 18276908

IUPAC2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CNC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN4O4S/c17-12-3-1-11(2-4-12)9-19-16(23)20-10-15(22)21-13-5-7-14(8-6-13)26(18,24)25/h1-8H,9-10H2,(H,21,22)(H2,18,24,25)(H2,19,20,23)
InChIKeyFYAXQZWHXLDIRI-UHFFFAOYSA-N
MW380.40 g/mol
LogP0.91
Rot. Bonds6

About 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-sulfamoylphenyl)acetamide

2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 18276908) has the molecular formula C16H17FN4O4S and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-sulfamoylphenyl)acetamide
PubChem CID18276908
Molecular FormulaC16H17FN4O4S
Molecular Weight380.40 g/mol
Exact Mass380.10
IUPAC Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CNC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN4O4S/c17-12-3-1-11(2-4-12)9-19-16(23)20-10-15(22)21-13-5-7-14(8-6-13)26(18,24)25/h1-8H,9-10H2,(H,21,22)(H2,18,24,25)(H2,19,20,23)
InChIKeyFYAXQZWHXLDIRI-UHFFFAOYSA-N
XLogP0.91
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[(4-sulfamoylphenyl)methylamino]acetamide
CID 17066843
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 24638119
2-[4-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]phenyl]-N-methylacetamide
CID 86923315
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 24605074
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 18160151
N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24605652
methyl 2-[[2-[4-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]phenyl]acetyl]amino]acetate
CID 55964096
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
N-(4-fluoro-3-nitrophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24635076
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[(4-sulfamoylphenyl)methyl]urea
CID 108908056
1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898468
1-(2,3,4,5,6-pentafluorophenyl)-3-[(4-sulfamoylphenyl)methyl]urea
CID 11269442

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-sulfamoylphenyl)acetamide (CID 18276908) is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)CNC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is FYAXQZWHXLDIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O4S/c17-12-3-1-11(2-4-12)9-19-16(23)20-10-15(22)21-13-5-7-14(8-6-13)26(18,24)25/h1-8H,9-10H2,(H,21,22)(H2,18,24,25)(H2,19,20,23).
What are the key properties of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-sulfamoylphenyl)acetamide?
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 380.40 g/mol, XLogP of 0.91, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 18276908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).