N-[3-(4-propan-2-yloxyphenyl)propyl]-2-thiophen-2-ylacetamide

C18H23NO2S — CID 100672361

IUPACN-[3-(4-propan-2-yloxyphenyl)propyl]-2-thiophen-2-ylacetamide
SMILESCC(C)Oc1ccc(CCCNC(=O)Cc2cccs2)cc1
InChIInChI=1S/C18H23NO2S/c1-14(2)21-16-9-7-15(8-10-16)5-3-11-19-18(20)13-17-6-4-12-22-17/h4,6-10,12,14H,3,5,11,13H2,1-2H3,(H,19,20)
InChIKeySSDZDASAKYKCQV-UHFFFAOYSA-N
MW317.45 g/mol
LogP3.83
Rot. Bonds8

About N-[3-(4-propan-2-yloxyphenyl)propyl]-2-thiophen-2-ylacetamide

N-[3-(4-propan-2-yloxyphenyl)propyl]-2-thiophen-2-ylacetamide (PubChem CID 100672361) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is N-[3-(4-propan-2-yloxyphenyl)propyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(4-propan-2-yloxyphenyl)propyl]-2-thiophen-2-ylacetamide
PubChem CID100672361
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC NameN-[3-(4-propan-2-yloxyphenyl)propyl]-2-thiophen-2-ylacetamide
SMILESCC(C)Oc1ccc(CCCNC(=O)Cc2cccs2)cc1
InChIInChI=1S/C18H23NO2S/c1-14(2)21-16-9-7-15(8-10-16)5-3-11-19-18(20)13-17-6-4-12-22-17/h4,6-10,12,14H,3,5,11,13H2,1-2H3,(H,19,20)
InChIKeySSDZDASAKYKCQV-UHFFFAOYSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 53.83
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

2-(4-chlorophenyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 50874755
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-thiophen-2-ylacetamide
CID 16889915
4-[4-(4-propan-2-yloxyphenyl)butanoylamino]butanoic acid
CID 94966713
(3R)-3-(4-propan-2-yloxyphenyl)-3-[(2-thiophen-2-ylacetyl)amino]propanoate
CID 6925629
(3S)-3-(4-propan-2-yloxyphenyl)-3-[(2-thiophen-2-ylacetyl)amino]propanoate
CID 6925632
N-[2-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 110790622
2-(4-methoxyphenyl)sulfanyl-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 92683988
N-[2-oxo-2-(4-phenylbutylamino)ethyl]-4-propan-2-yloxybenzamide
CID 17483571
2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 132654154
1-(4-propan-2-yloxyphenyl)-4-thiophen-2-ylbutan-1-one
CID 105097435
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-propan-2-yloxyphenyl)propyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-(4-propan-2-yloxyphenyl)propyl]-2-thiophen-2-ylacetamide (CID 100672361) is N-[3-(4-propan-2-yloxyphenyl)propyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-(4-propan-2-yloxyphenyl)propyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-(4-propan-2-yloxyphenyl)propyl]-2-thiophen-2-ylacetamide is CC(C)Oc1ccc(CCCNC(=O)Cc2cccs2)cc1.
What is the InChIKey of N-[3-(4-propan-2-yloxyphenyl)propyl]-2-thiophen-2-ylacetamide?
The InChIKey is SSDZDASAKYKCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-14(2)21-16-9-7-15(8-10-16)5-3-11-19-18(20)13-17-6-4-12-22-17/h4,6-10,12,14H,3,5,11,13H2,1-2H3,(H,19,20).
What are the key properties of N-[3-(4-propan-2-yloxyphenyl)propyl]-2-thiophen-2-ylacetamide?
N-[3-(4-propan-2-yloxyphenyl)propyl]-2-thiophen-2-ylacetamide has a molecular weight of 317.45 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-propan-2-yloxyphenyl)propyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 100672361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).