N-(2-cyclohexyloxyethyl)-4-sulfanylbenzamide

C15H21NO2S — CID 107030134

IUPACN-(2-cyclohexyloxyethyl)-4-sulfanylbenzamide
SMILESO=C(NCCOC1CCCCC1)c1ccc(S)cc1
InChIInChI=1S/C15H21NO2S/c17-15(12-6-8-14(19)9-7-12)16-10-11-18-13-4-2-1-3-5-13/h6-9,13,19H,1-5,10-11H2,(H,16,17)
InChIKeyWFOIFBXFKUGKSQ-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.05
Rot. Bonds5

About N-(2-cyclohexyloxyethyl)-4-sulfanylbenzamide

N-(2-cyclohexyloxyethyl)-4-sulfanylbenzamide (PubChem CID 107030134) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-4-sulfanylbenzamide
PubChem CID107030134
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-(2-cyclohexyloxyethyl)-4-sulfanylbenzamide
SMILESO=C(NCCOC1CCCCC1)c1ccc(S)cc1
InChIInChI=1S/C15H21NO2S/c17-15(12-6-8-14(19)9-7-12)16-10-11-18-13-4-2-1-3-5-13/h6-9,13,19H,1-5,10-11H2,(H,16,17)
InChIKeyWFOIFBXFKUGKSQ-UHFFFAOYSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 61149535
N-(2-cyclopentyloxyethyl)-4-fluoro-3-sulfanylbenzamide
CID 107030113
N-(2-cyclohexyloxyethyl)-4-(prop-2-enoylamino)benzamide
CID 166409112
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652
N-(2-cyclooct-4-en-1-yloxyethyl)-4-(18F)fluoro(18F)benzamide
CID 123167407
N-(2-cyclopentyloxyethyl)-3,5-dihydroxybenzamide
CID 104938884
N-(2-cyclohexyloxyethyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 75462004
3-bromo-4-chloro-N-(2-cyclohexyloxyethyl)benzamide
CID 107999547
N-(cyclopentylmethyl)-4-sulfanylbenzamide
CID 107022611
3,5-dibromo-N-(2-cyclopentyloxyethyl)benzamide
CID 103908078
N-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide
CID 134029978
4-amino-N-(2-cyclohexyloxyethyl)-3,5-difluorobenzamide
CID 63834672

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)-4-sulfanylbenzamide?
The IUPAC name of N-(2-cyclohexyloxyethyl)-4-sulfanylbenzamide (CID 107030134) is N-(2-cyclohexyloxyethyl)-4-sulfanylbenzamide.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-4-sulfanylbenzamide?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-4-sulfanylbenzamide is O=C(NCCOC1CCCCC1)c1ccc(S)cc1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-4-sulfanylbenzamide?
The InChIKey is WFOIFBXFKUGKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c17-15(12-6-8-14(19)9-7-12)16-10-11-18-13-4-2-1-3-5-13/h6-9,13,19H,1-5,10-11H2,(H,16,17).
What are the key properties of N-(2-cyclohexyloxyethyl)-4-sulfanylbenzamide?
N-(2-cyclohexyloxyethyl)-4-sulfanylbenzamide has a molecular weight of 279.40 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-4-sulfanylbenzamide is sourced from PubChem (CID 107030134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).