2-[(4-fluorophenyl)methylcarbamoylamino]-N-[4-(phenylsulfamoyl)phenyl]acetamide

C22H21FN4O4S — CID 24638119

IUPAC2-[(4-fluorophenyl)methylcarbamoylamino]-N-[4-(phenylsulfamoyl)phenyl]acetamide
SMILESO=C(CNC(=O)NCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H21FN4O4S/c23-17-8-6-16(7-9-17)14-24-22(29)25-15-21(28)26-18-10-12-20(13-11-18)32(30,31)27-19-4-2-1-3-5-19/h1-13,27H,14-15H2,(H,26,28)(H2,24,25,29)
InChIKeyIRVLKMIWLRFGMM-UHFFFAOYSA-N
MW456.50 g/mol
LogP3.06
Rot. Bonds8

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

2-[(4-fluorophenyl)methylcarbamoylamino]-N-[4-(phenylsulfamoyl)phenyl]acetamide (PubChem CID 24638119) has the molecular formula C22H21FN4O4S and a molecular weight of 456.50 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[4-(phenylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-[4-(phenylsulfamoyl)phenyl]acetamide
PubChem CID24638119
Molecular FormulaC22H21FN4O4S
Molecular Weight456.50 g/mol
Exact Mass456.13
IUPAC Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-[4-(phenylsulfamoyl)phenyl]acetamide
SMILESO=C(CNC(=O)NCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H21FN4O4S/c23-17-8-6-16(7-9-17)14-24-22(29)25-15-21(28)26-18-10-12-20(13-11-18)32(30,31)27-19-4-2-1-3-5-19/h1-13,27H,14-15H2,(H,26,28)(H2,24,25,29)
InChIKeyIRVLKMIWLRFGMM-UHFFFAOYSA-N
XLogP3.06
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-sulfamoylphenyl)acetamide
CID 18276908
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(4-methylphenyl)acetamide
CID 27228794
2-[4-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]phenyl]-N-methylacetamide
CID 86923315
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)acetamide
CID 28580249
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 24605074
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 17472251
4-[4-[(4-fluorophenyl)sulfamoyl]anilino]-4-oxobutanoic acid
CID 1010683
2,4-difluoro-N-[2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-2-oxoethyl]benzamide
CID 24597375
4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26850932
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 18160151
N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24605652
N-[(4-fluorophenyl)methyl]-2-[2-methyl-4-(phenylsulfamoyl)phenoxy]acetamide
CID 28555542

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[4-(phenylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[4-(phenylsulfamoyl)phenyl]acetamide (CID 24638119) is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[4-(phenylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[4-(phenylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[4-(phenylsulfamoyl)phenyl]acetamide is O=C(CNC(=O)NCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[4-(phenylsulfamoyl)phenyl]acetamide?
The InChIKey is IRVLKMIWLRFGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O4S/c23-17-8-6-16(7-9-17)14-24-22(29)25-15-21(28)26-18-10-12-20(13-11-18)32(30,31)27-19-4-2-1-3-5-19/h1-13,27H,14-15H2,(H,26,28)(H2,24,25,29).
What are the key properties of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-[4-(phenylsulfamoyl)phenyl]acetamide?
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[4-(phenylsulfamoyl)phenyl]acetamide has a molecular weight of 456.50 g/mol, XLogP of 3.06, 8 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-(phenylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 24638119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).