3-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-methylpropanoic acid

C18H26N2O5S — CID 120687513

IUPAC3-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)C(=O)O
InChIInChI=1S/C18H26N2O5S/c1-13(18(22)23)12-19-17(21)14-7-6-10-16(11-14)26(24,25)20(2)15-8-4-3-5-9-15/h6-7,10-11,13,15H,3-5,8-9,12H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyJFZBKRUCHUXJAM-UHFFFAOYSA-N
MW382.48 g/mol
LogP2.09
Rot. Bonds7

About 3-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-methylpropanoic acid

3-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-methylpropanoic acid (PubChem CID 120687513) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is 3-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-methylpropanoic acid
PubChem CID120687513
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Name3-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)C(=O)O
InChIInChI=1S/C18H26N2O5S/c1-13(18(22)23)12-19-17(21)14-7-6-10-16(11-14)26(24,25)20(2)15-8-4-3-5-9-15/h6-7,10-11,13,15H,3-5,8-9,12H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyJFZBKRUCHUXJAM-UHFFFAOYSA-N
XLogP2.09
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclohexyl(methyl)sulfamoyl]-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120653199
(2S)-2-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-3-methylbutanoic acid
CID 9291692
(2S,3S)-2-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-3-hydroxybutanoic acid
CID 25489125
(2S)-2-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-4-methylpentanoate
CID 9402257
3-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213252
3-[cyclohexyl(methyl)sulfamoyl]-N-ethoxybenzamide
CID 43048017
3-[cyclohexyl(methyl)sulfamoyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120943251
N-(4-chlorophenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 2666126
3-[cyclohexyl(methyl)sulfamoyl]-N-(2-thiophen-2-ylethyl)benzamide
CID 43008206
3-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]-ethylamino]propanoic acid
CID 120685984
3-[cyclohexyl(methyl)sulfamoyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 30954449
N-(1-acetylazetidin-3-yl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 127392421

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-methylpropanoic acid (CID 120687513) is 3-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-methylpropanoic acid is CC(CNC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)C(=O)O.
What is the InChIKey of 3-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-methylpropanoic acid?
The InChIKey is JFZBKRUCHUXJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-13(18(22)23)12-19-17(21)14-7-6-10-16(11-14)26(24,25)20(2)15-8-4-3-5-9-15/h6-7,10-11,13,15H,3-5,8-9,12H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 3-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-methylpropanoic acid?
3-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-methylpropanoic acid has a molecular weight of 382.48 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 120687513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).