1-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid

C18H26N2O5S — CID 120544395

IUPAC1-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)NCC2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C18H26N2O5S/c1-2-11-26(24,25)20-15-8-6-7-14(12-15)16(21)19-13-18(17(22)23)9-4-3-5-10-18/h6-8,12,20H,2-5,9-11,13H2,1H3,(H,19,21)(H,22,23)
InChIKeyNUQKOSQHYACYAU-UHFFFAOYSA-N
MW382.48 g/mol
LogP2.60
Rot. Bonds8

About 1-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid

1-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 120544395) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is 1-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID120544395
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Name1-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)NCC2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C18H26N2O5S/c1-2-11-26(24,25)20-15-8-6-7-14(12-15)16(21)19-13-18(17(22)23)9-4-3-5-10-18/h6-8,12,20H,2-5,9-11,13H2,1H3,(H,19,21)(H,22,23)
InChIKeyNUQKOSQHYACYAU-UHFFFAOYSA-N
XLogP2.60
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(3-hydroxybenzoyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443395
3-(3-chloropropylsulfonylamino)-N-propylbenzamide
CID 60959205
N-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide
CID 60518791
1-[[(3-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362528
N-[3-(cyclopropanecarbonyl)phenyl]propane-1-sulfonamide
CID 112511038
1-[[[3-(pyridine-3-carbonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544310
N,N-dimethyl-3-(propylsulfonylamino)benzamide
CID 46449543
1-[[[3-(dimethylamino)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445284
3-(4-chlorobutylsulfonylamino)-N-propylbenzamide
CID 116815540
1-[[[3-(3-methoxypropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544460
1-[[(3,4-dihydroxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 107728192
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(propylsulfonylamino)benzamide
CID 55660410

Frequently Asked Questions

What is the IUPAC name of 1-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 120544395) is 1-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid is CCCS(=O)(=O)Nc1cccc(C(=O)NCC2(C(=O)O)CCCCC2)c1.
What is the InChIKey of 1-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is NUQKOSQHYACYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-2-11-26(24,25)20-15-8-6-7-14(12-15)16(21)19-13-18(17(22)23)9-4-3-5-10-18/h6-8,12,20H,2-5,9-11,13H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 1-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid?
1-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 382.48 g/mol, XLogP of 2.60, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120544395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).