N-cyclobutyl-N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide

C16H23NO2S — CID 107036755

IUPACN-cyclobutyl-N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide
SMILESO=C(C(S)Cc1ccccc1)N(CCCO)C1CCC1
InChIInChI=1S/C16H23NO2S/c18-11-5-10-17(14-8-4-9-14)16(19)15(20)12-13-6-2-1-3-7-13/h1-3,6-7,14-15,18,20H,4-5,8-12H2
InChIKeyHDYPWODJUZXRHJ-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.29
Rot. Bonds7

About N-cyclobutyl-N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide

N-cyclobutyl-N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide (PubChem CID 107036755) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-cyclobutyl-N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide
PubChem CID107036755
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-cyclobutyl-N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide
SMILESO=C(C(S)Cc1ccccc1)N(CCCO)C1CCC1
InChIInChI=1S/C16H23NO2S/c18-11-5-10-17(14-8-4-9-14)16(19)15(20)12-13-6-2-1-3-7-13/h1-3,6-7,14-15,18,20H,4-5,8-12H2
InChIKeyHDYPWODJUZXRHJ-UHFFFAOYSA-N
XLogP2.29
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
CID 54916329
2-(2-fluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 54916671
2-(4-fluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 54916672
2-(3-fluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 54917289
3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
CID 61038654
N-cyclobutyl-3-(3,4-difluorophenyl)-N-(2-hydroxyethyl)propanamide
CID 102684332
N-cyclobutyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)propanamide
CID 102684368
N-cyclobutyl-2-(2,4-difluorophenyl)-N-(3-hydroxypropyl)acetamide
CID 102866065
N-cyclobutyl-2-(4-fluorophenyl)-N-(3-hydroxypropyl)acetamide
CID 102866129
N-cyclobutyl-2-(3-fluorophenyl)-N-(3-hydroxypropyl)acetamide
CID 102866218
N-cyclobutyl-2-(2-fluorophenyl)-N-(3-hydroxypropyl)acetamide
CID 102866262
N-cyclobutyl-3-(3,4-difluorophenyl)-N-(3-hydroxypropyl)propanamide
CID 102866294

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide?
The IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide (CID 107036755) is N-cyclobutyl-N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide.
What is the SMILES notation for N-cyclobutyl-N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide?
The canonical SMILES for N-cyclobutyl-N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide is O=C(C(S)Cc1ccccc1)N(CCCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide?
The InChIKey is HDYPWODJUZXRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c18-11-5-10-17(14-8-4-9-14)16(19)15(20)12-13-6-2-1-3-7-13/h1-3,6-7,14-15,18,20H,4-5,8-12H2.
What are the key properties of N-cyclobutyl-N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide?
N-cyclobutyl-N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide has a molecular weight of 293.43 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide is sourced from PubChem (CID 107036755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).