N-[5-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide

C20H21FN4O4S — CID 46666830

IUPACN-[5-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NC(c2ccccc2F)c2nccn2C)cc1NC(C)=O
InChIInChI=1S/C20H21FN4O4S/c1-13(26)23-17-12-14(8-9-18(17)29-3)30(27,28)24-19(20-22-10-11-25(20)2)15-6-4-5-7-16(15)21/h4-12,19,24H,1-3H3,(H,23,26)
InChIKeyQKMSOFSRELFZKU-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.59
Rot. Bonds7

About N-[5-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide

N-[5-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide (PubChem CID 46666830) has the molecular formula C20H21FN4O4S and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[5-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide
PubChem CID46666830
Molecular FormulaC20H21FN4O4S
Molecular Weight432.48 g/mol
Exact Mass432.13
IUPAC NameN-[5-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NC(c2ccccc2F)c2nccn2C)cc1NC(C)=O
InChIInChI=1S/C20H21FN4O4S/c1-13(26)23-17-12-14(8-9-18(17)29-3)30(27,28)24-19(20-22-10-11-25(20)2)15-6-4-5-7-16(15)21/h4-12,19,24H,1-3H3,(H,23,26)
InChIKeyQKMSOFSRELFZKU-UHFFFAOYSA-N
XLogP2.59
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide (CID 46666830) is N-[5-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide is COc1ccc(S(=O)(=O)NC(c2ccccc2F)c2nccn2C)cc1NC(C)=O.
What is the InChIKey of N-[5-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide?
The InChIKey is QKMSOFSRELFZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O4S/c1-13(26)23-17-12-14(8-9-18(17)29-3)30(27,28)24-19(20-22-10-11-25(20)2)15-6-4-5-7-16(15)21/h4-12,19,24H,1-3H3,(H,23,26).
What are the key properties of N-[5-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide?
N-[5-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide has a molecular weight of 432.48 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 46666830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).