N-cyclobutyl-N-(2-hydroxyethyl)-4-phenylsulfanylbutanamide

C16H23NO2S — CID 102684582

IUPACN-cyclobutyl-N-(2-hydroxyethyl)-4-phenylsulfanylbutanamide
SMILESO=C(CCCSc1ccccc1)N(CCO)C1CCC1
InChIInChI=1S/C16H23NO2S/c18-12-11-17(14-6-4-7-14)16(19)10-5-13-20-15-8-2-1-3-9-15/h1-3,8-9,14,18H,4-7,10-13H2
InChIKeyGLOGYBVZXFWUOH-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.93
Rot. Bonds8

About N-cyclobutyl-N-(2-hydroxyethyl)-4-phenylsulfanylbutanamide

N-cyclobutyl-N-(2-hydroxyethyl)-4-phenylsulfanylbutanamide (PubChem CID 102684582) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-cyclobutyl-N-(2-hydroxyethyl)-4-phenylsulfanylbutanamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(2-hydroxyethyl)-4-phenylsulfanylbutanamide
PubChem CID102684582
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-cyclobutyl-N-(2-hydroxyethyl)-4-phenylsulfanylbutanamide
SMILESO=C(CCCSc1ccccc1)N(CCO)C1CCC1
InChIInChI=1S/C16H23NO2S/c18-12-11-17(14-6-4-7-14)16(19)10-5-13-20-15-8-2-1-3-9-15/h1-3,8-9,14,18H,4-7,10-13H2
InChIKeyGLOGYBVZXFWUOH-UHFFFAOYSA-N
XLogP2.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclobutyl-3-(4-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide
CID 102866164
3-(4-chlorophenyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 43577284
3-(2-chlorophenyl)sulfanyl-N-cyclobutyl-N-(3-hydroxypropyl)propanamide
CID 102866178
N,N-dimethyl-4-phenylsulfanylbutanamide
CID 13123143
N-(2-chloroethyl)-N-cyclopentyl-2-phenylsulfanylacetamide
CID 79206780
6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 54875131
2-[4-(4-chlorophenyl)sulfanylbutanoyl-cyclopropylamino]acetic acid
CID 60826867
(2S)-2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylacetamide
CID 102861821
2-[cyclopropylmethyl(4-phenylsulfanylbutanoyl)amino]acetic acid
CID 43655413
N-cyclobutyl-N-(2-hydroxyethyl)-2-phenoxyacetamide
CID 102684381
5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)pentanamide
CID 102861187
N-cyclopropyl-3-(3,4-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)propanamide
CID 43577392

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-4-phenylsulfanylbutanamide?
The IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-4-phenylsulfanylbutanamide (CID 102684582) is N-cyclobutyl-N-(2-hydroxyethyl)-4-phenylsulfanylbutanamide.
What is the SMILES notation for N-cyclobutyl-N-(2-hydroxyethyl)-4-phenylsulfanylbutanamide?
The canonical SMILES for N-cyclobutyl-N-(2-hydroxyethyl)-4-phenylsulfanylbutanamide is O=C(CCCSc1ccccc1)N(CCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(2-hydroxyethyl)-4-phenylsulfanylbutanamide?
The InChIKey is GLOGYBVZXFWUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c18-12-11-17(14-6-4-7-14)16(19)10-5-13-20-15-8-2-1-3-9-15/h1-3,8-9,14,18H,4-7,10-13H2.
What are the key properties of N-cyclobutyl-N-(2-hydroxyethyl)-4-phenylsulfanylbutanamide?
N-cyclobutyl-N-(2-hydroxyethyl)-4-phenylsulfanylbutanamide has a molecular weight of 293.43 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(2-hydroxyethyl)-4-phenylsulfanylbutanamide is sourced from PubChem (CID 102684582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).