1-[methyl-[4-(propan-2-ylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid

C18H26N2O5S — CID 120539772

IUPAC1-[methyl-[4-(propan-2-ylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N(C)C2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C18H26N2O5S/c1-13(2)19-26(24,25)15-9-7-14(8-10-15)16(21)20(3)18(17(22)23)11-5-4-6-12-18/h7-10,13,19H,4-6,11-12H2,1-3H3,(H,22,23)
InChIKeyHCYHHINRHDVBMR-UHFFFAOYSA-N
MW382.48 g/mol
LogP2.23
Rot. Bonds6

About 1-[methyl-[4-(propan-2-ylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid

1-[methyl-[4-(propan-2-ylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 120539772) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is 1-[methyl-[4-(propan-2-ylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-[4-(propan-2-ylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID120539772
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Name1-[methyl-[4-(propan-2-ylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N(C)C2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C18H26N2O5S/c1-13(2)19-26(24,25)15-9-7-14(8-10-15)16(21)20(3)18(17(22)23)11-5-4-6-12-18/h7-10,13,19H,4-6,11-12H2,1-3H3,(H,22,23)
InChIKeyHCYHHINRHDVBMR-UHFFFAOYSA-N
XLogP2.23
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[methyl(pyridazine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539383
N-methyl-N-(3-methylbutyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 86926868
1-[(4-ethyl-3-methylsulfonylbenzoyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120540486
1-[furan-3-carbonyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 120540079
N-(1-aminopropan-2-yl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119584451
1-[(3-fluoro-4-methylbenzoyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539250
4-(2-methylpropanoyl)-N-propan-2-ylbenzenesulfonamide
CID 82164855
1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120539619
N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 134054323
1-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120540043
1-[methyl-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120539698
1-[(3-methoxy-4-propan-2-yloxybenzoyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539762

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[4-(propan-2-ylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[methyl-[4-(propan-2-ylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid (CID 120539772) is 1-[methyl-[4-(propan-2-ylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[methyl-[4-(propan-2-ylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[methyl-[4-(propan-2-ylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid is CC(C)NS(=O)(=O)c1ccc(C(=O)N(C)C2(C(=O)O)CCCCC2)cc1.
What is the InChIKey of 1-[methyl-[4-(propan-2-ylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is HCYHHINRHDVBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-13(2)19-26(24,25)15-9-7-14(8-10-15)16(21)20(3)18(17(22)23)11-5-4-6-12-18/h7-10,13,19H,4-6,11-12H2,1-3H3,(H,22,23).
What are the key properties of 1-[methyl-[4-(propan-2-ylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
1-[methyl-[4-(propan-2-ylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 382.48 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[4-(propan-2-ylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120539772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).