2-[2-fluoro-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]acetic acid

C17H23FN2O5S — CID 122109939

IUPAC2-[2-fluoro-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]acetic acid
SMILESCC1CCC(NS(=O)(=O)CC(=O)Nc2ccc(CC(=O)O)c(F)c2)CC1
InChIInChI=1S/C17H23FN2O5S/c1-11-2-5-13(6-3-11)20-26(24,25)10-16(21)19-14-7-4-12(8-17(22)23)15(18)9-14/h4,7,9,11,13,20H,2-3,5-6,8,10H2,1H3,(H,19,21)(H,22,23)
InChIKeyJLNNFWJKRZUPCH-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.89
Rot. Bonds7

About 2-[2-fluoro-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]acetic acid

2-[2-fluoro-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]acetic acid (PubChem CID 122109939) has the molecular formula C17H23FN2O5S and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-[2-fluoro-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]acetic acid
PubChem CID122109939
Molecular FormulaC17H23FN2O5S
Molecular Weight386.45 g/mol
Exact Mass386.13
IUPAC Name2-[2-fluoro-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]acetic acid
SMILESCC1CCC(NS(=O)(=O)CC(=O)Nc2ccc(CC(=O)O)c(F)c2)CC1
InChIInChI=1S/C17H23FN2O5S/c1-11-2-5-13(6-3-11)20-26(24,25)10-16(21)19-14-7-4-12(8-17(22)23)15(18)9-14/h4,7,9,11,13,20H,2-3,5-6,8,10H2,1H3,(H,19,21)(H,22,23)
InChIKeyJLNNFWJKRZUPCH-UHFFFAOYSA-N
XLogP1.89
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-fluoro-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]acetic acid with MolForge

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Related Compounds

2-[4-(butanoylamino)-2-fluorophenyl]acetic acid
CID 122110137
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-[(4-methylcyclohexyl)sulfamoyl]acetamide
CID 56540115
2-[2-fluoro-4-[(2-methylsulfanylacetyl)amino]phenyl]acetic acid
CID 122110095
1-[4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]pyrazole-3-carboxamide
CID 56585894
2-[4-(3-butylsulfanylpropanoylamino)-2-fluorophenyl]acetic acid
CID 122109840
2-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]-3-phenylpropanoic acid
CID 119165753
N-[3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetamide
CID 114545154
2-[2-fluoro-4-[(2-methyloxane-4-carbonyl)amino]phenyl]acetic acid
CID 122109696
3-methyl-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 56582986
2-[2-fluoro-4-(3-propan-2-yloxypropanoylamino)phenyl]acetic acid
CID 122110010
2-[4-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-fluorophenyl]acetic acid
CID 122109861
2-[4-[(1-ethylcyclopropanecarbonyl)amino]-2-fluorophenyl]acetic acid
CID 122109613

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-fluoro-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]acetic acid (CID 122109939) is 2-[2-fluoro-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]acetic acid is CC1CCC(NS(=O)(=O)CC(=O)Nc2ccc(CC(=O)O)c(F)c2)CC1.
What is the InChIKey of 2-[2-fluoro-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]acetic acid?
The InChIKey is JLNNFWJKRZUPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O5S/c1-11-2-5-13(6-3-11)20-26(24,25)10-16(21)19-14-7-4-12(8-17(22)23)15(18)9-14/h4,7,9,11,13,20H,2-3,5-6,8,10H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 2-[2-fluoro-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]acetic acid?
2-[2-fluoro-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]acetic acid has a molecular weight of 386.45 g/mol, XLogP of 1.89, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]acetic acid is sourced from PubChem (CID 122109939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).