1-[[[4-(diethylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid

C19H28N2O5S — CID 120544176

IUPAC1-[[[4-(diethylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C19H28N2O5S/c1-3-21(4-2)27(25,26)16-10-8-15(9-11-16)17(22)20-14-19(18(23)24)12-6-5-7-13-19/h8-11H,3-7,12-14H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyLPZDDICOVORWOO-UHFFFAOYSA-N
MW396.51 g/mol
LogP2.48
Rot. Bonds8

About 1-[[[4-(diethylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid

1-[[[4-(diethylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 120544176) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is 1-[[[4-(diethylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[4-(diethylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID120544176
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC Name1-[[[4-(diethylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C19H28N2O5S/c1-3-21(4-2)27(25,26)16-10-8-15(9-11-16)17(22)20-14-19(18(23)24)12-6-5-7-13-19/h8-11H,3-7,12-14H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyLPZDDICOVORWOO-UHFFFAOYSA-N
XLogP2.48
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[[4-(methylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120543852
4-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 41288116
1-[[(4-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81369298
4-(diethylsulfamoyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzamide
CID 121179080
1-[[[4-(hydroxymethyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115435645
1-[[(4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445281
1-[[[2-(4-ethylsulfonylphenyl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544615
1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433634
N-[2-(cyclohexanecarbonylamino)ethyl]-4-(diethylsulfamoyl)benzamide
CID 55805923
1-[[[4-(methylsulfanylmethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115432933
N-[2-(azetidin-1-yl)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide
CID 7601424
1-[[(4-butylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445142

Frequently Asked Questions

What is the IUPAC name of 1-[[[4-(diethylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[[4-(diethylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 120544176) is 1-[[[4-(diethylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[[4-(diethylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[[4-(diethylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC2(C(=O)O)CCCCC2)cc1.
What is the InChIKey of 1-[[[4-(diethylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is LPZDDICOVORWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-3-21(4-2)27(25,26)16-10-8-15(9-11-16)17(22)20-14-19(18(23)24)12-6-5-7-13-19/h8-11H,3-7,12-14H2,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 1-[[[4-(diethylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid?
1-[[[4-(diethylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 396.51 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-(diethylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120544176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).