N-[4-(3-butoxy-2-hydroxypropyl)sulfanylphenyl]acetamide

C15H23NO3S — CID 107264071

IUPACN-[4-(3-butoxy-2-hydroxypropyl)sulfanylphenyl]acetamide
SMILESCCCCOCC(O)CSc1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H23NO3S/c1-3-4-9-19-10-14(18)11-20-15-7-5-13(6-8-15)16-12(2)17/h5-8,14,18H,3-4,9-11H2,1-2H3,(H,16,17)
InChIKeyDHYZRXZCQVBOCV-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.91
Rot. Bonds9

About N-[4-(3-butoxy-2-hydroxypropyl)sulfanylphenyl]acetamide

N-[4-(3-butoxy-2-hydroxypropyl)sulfanylphenyl]acetamide (PubChem CID 107264071) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[4-(3-butoxy-2-hydroxypropyl)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-butoxy-2-hydroxypropyl)sulfanylphenyl]acetamide
PubChem CID107264071
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-[4-(3-butoxy-2-hydroxypropyl)sulfanylphenyl]acetamide
SMILESCCCCOCC(O)CSc1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H23NO3S/c1-3-4-9-19-10-14(18)11-20-15-7-5-13(6-8-15)16-12(2)17/h5-8,14,18H,3-4,9-11H2,1-2H3,(H,16,17)
InChIKeyDHYZRXZCQVBOCV-UHFFFAOYSA-N
XLogP2.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-ethoxy-2-hydroxypropyl)sulfanylphenyl]acetamide
CID 63934636
1-butoxy-3-phenylsulfanylpropan-2-ol
CID 12063877
1-[3-(3-butoxy-2-hydroxypropyl)sulfanylphenyl]ethanone
CID 107264409
N-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]sulfanylphenyl]acetamide
CID 78661847
N-[4-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]sulfanylphenyl]acetamide
CID 16566055
N-[4-[2-(ethylamino)-3-methoxypropyl]sulfanylphenyl]acetamide
CID 107511321
2-(3-butoxy-2-hydroxypropyl)sulfanylbenzoic acid
CID 107262223
N-[4-(4-pentoxybutoxy)phenyl]acetamide
CID 142679131
1-[3-(1-aminoethyl)phenyl]sulfanyl-3-butoxypropan-2-ol
CID 107264416
2-acetamido-3-(4-acetamidophenyl)sulfanylpropanoic acid
CID 64582885
N-[(2R)-1-(3-butoxy-2-hydroxypropyl)sulfanylpropan-2-yl]acetamide
CID 90754488
4-(3-butoxy-2-hydroxypropyl)sulfanylnaphthalen-1-ol
CID 107264134

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-butoxy-2-hydroxypropyl)sulfanylphenyl]acetamide?
The IUPAC name of N-[4-(3-butoxy-2-hydroxypropyl)sulfanylphenyl]acetamide (CID 107264071) is N-[4-(3-butoxy-2-hydroxypropyl)sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-(3-butoxy-2-hydroxypropyl)sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-(3-butoxy-2-hydroxypropyl)sulfanylphenyl]acetamide is CCCCOCC(O)CSc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-(3-butoxy-2-hydroxypropyl)sulfanylphenyl]acetamide?
The InChIKey is DHYZRXZCQVBOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-3-4-9-19-10-14(18)11-20-15-7-5-13(6-8-15)16-12(2)17/h5-8,14,18H,3-4,9-11H2,1-2H3,(H,16,17).
What are the key properties of N-[4-(3-butoxy-2-hydroxypropyl)sulfanylphenyl]acetamide?
N-[4-(3-butoxy-2-hydroxypropyl)sulfanylphenyl]acetamide has a molecular weight of 297.42 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-butoxy-2-hydroxypropyl)sulfanylphenyl]acetamide is sourced from PubChem (CID 107264071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).