N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide

C19H29NO4S — CID 39950494

IUPACN-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1ccccc1C(=O)NCCCOC1CCCCC1
InChIInChI=1S/C19H29NO4S/c1-15(2)25(22,23)18-12-7-6-11-17(18)19(21)20-13-8-14-24-16-9-4-3-5-10-16/h6-7,11-12,15-16H,3-5,8-10,13-14H2,1-2H3,(H,20,21)
InChIKeyLRKMEEOYINBLRX-UHFFFAOYSA-N
MW367.51 g/mol
LogP3.34
Rot. Bonds8

About N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide

N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide (PubChem CID 39950494) has the molecular formula C19H29NO4S and a molecular weight of 367.51 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide
PubChem CID39950494
Molecular FormulaC19H29NO4S
Molecular Weight367.51 g/mol
Exact Mass367.18
IUPAC NameN-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1ccccc1C(=O)NCCCOC1CCCCC1
InChIInChI=1S/C19H29NO4S/c1-15(2)25(22,23)18-12-7-6-11-17(18)19(21)20-13-8-14-24-16-9-4-3-5-10-16/h6-7,11-12,15-16H,3-5,8-10,13-14H2,1-2H3,(H,20,21)
InChIKeyLRKMEEOYINBLRX-UHFFFAOYSA-N
XLogP3.34
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.51
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683
N-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide
CID 134029978
2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide
CID 24554342
2-[(2-bromobenzoyl)amino]-N-(3-cyclohexyloxypropyl)benzamide
CID 26549820
N-(3-cyclohexyloxypropyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 31719960
N-(2-amino-1-cyclohexylethyl)-2-propan-2-ylsulfonylbenzamide
CID 119591550
N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 74240570
2-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 55151515
5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide
CID 31852388
5-amino-2-bromo-N-(3-cyclohexyloxypropyl)benzamide
CID 115297279
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652
2-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275790

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide (CID 39950494) is N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide is CC(C)S(=O)(=O)c1ccccc1C(=O)NCCCOC1CCCCC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide?
The InChIKey is LRKMEEOYINBLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4S/c1-15(2)25(22,23)18-12-7-6-11-17(18)19(21)20-13-8-14-24-16-9-4-3-5-10-16/h6-7,11-12,15-16H,3-5,8-10,13-14H2,1-2H3,(H,20,21).
What are the key properties of N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide?
N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide has a molecular weight of 367.51 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 39950494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).