2-[(2-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide

C21H23FN4O4S — CID 42941103

IUPAC2-[(2-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
SMILESCOc1ccccc1C(NC(=O)C(C)NS(=O)(=O)c1ccccc1F)c1nccn1C
InChIInChI=1S/C21H23FN4O4S/c1-14(25-31(28,29)18-11-7-5-9-16(18)22)21(27)24-19(20-23-12-13-26(20)2)15-8-4-6-10-17(15)30-3/h4-14,19,25H,1-3H3,(H,24,27)
InChIKeyOIAAUAPRKXEXFU-UHFFFAOYSA-N
MW446.50 g/mol
LogP2.14
Rot. Bonds8

About 2-[(2-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide

2-[(2-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide (PubChem CID 42941103) has the molecular formula C21H23FN4O4S and a molecular weight of 446.50 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
PubChem CID42941103
Molecular FormulaC21H23FN4O4S
Molecular Weight446.50 g/mol
Exact Mass446.14
IUPAC Name2-[(2-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
SMILESCOc1ccccc1C(NC(=O)C(C)NS(=O)(=O)c1ccccc1F)c1nccn1C
InChIInChI=1S/C21H23FN4O4S/c1-14(25-31(28,29)18-11-7-5-9-16(18)22)21(27)24-19(20-23-12-13-26(20)2)15-8-4-6-10-17(15)30-3/h4-14,19,25H,1-3H3,(H,24,27)
InChIKeyOIAAUAPRKXEXFU-UHFFFAOYSA-N
XLogP2.14
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 25474515
4-fluoro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269372
1-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2-methoxyphenyl)methyl]urea
CID 38203555
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 41023767
(2S)-2-(benzenesulfonamido)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 55942208
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbenzamide
CID 51269492
2-(4-fluorophenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269495
methyl 4-[[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]benzoate
CID 25352670
3-fluoro-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 40939583
2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269439
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfinylbenzamide
CID 51269524

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide (CID 42941103) is 2-[(2-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide is COc1ccccc1C(NC(=O)C(C)NS(=O)(=O)c1ccccc1F)c1nccn1C.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The InChIKey is OIAAUAPRKXEXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O4S/c1-14(25-31(28,29)18-11-7-5-9-16(18)22)21(27)24-19(20-23-12-13-26(20)2)15-8-4-6-10-17(15)30-3/h4-14,19,25H,1-3H3,(H,24,27).
What are the key properties of 2-[(2-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
2-[(2-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide has a molecular weight of 446.50 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 42941103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).