N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-3-ylacetamide

C16H15NO2S — CID 60803359

IUPACN-[3-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1cccc(C#CCCO)c1
InChIInChI=1S/C16H15NO2S/c18-8-2-1-4-13-5-3-6-15(10-13)17-16(19)11-14-7-9-20-12-14/h3,5-7,9-10,12,18H,2,8,11H2,(H,17,19)
InChIKeyHMNKBXOOPYVRIB-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.66
Rot. Bonds4

About N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-3-ylacetamide

N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-3-ylacetamide (PubChem CID 60803359) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[3-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-3-ylacetamide
PubChem CID60803359
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC NameN-[3-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1cccc(C#CCCO)c1
InChIInChI=1S/C16H15NO2S/c18-8-2-1-4-13-5-3-6-15(10-13)17-16(19)11-14-7-9-20-12-14/h3,5-7,9-10,12,18H,2,8,11H2,(H,17,19)
InChIKeyHMNKBXOOPYVRIB-UHFFFAOYSA-N
XLogP2.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-hydroxybut-1-ynyl)phenyl]butanamide
CID 60804224
3-[(2-thiophen-3-ylacetyl)amino]benzoic acid
CID 28778986
2-ethoxy-N-[3-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60803360
N-[3-(4-hydroxybut-1-ynyl)phenyl]-3-methoxypropanamide
CID 62590238
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide
CID 60803624
3-ethyl-N-[3-(4-hydroxybut-1-ynyl)phenyl]thiophene-2-carboxamide
CID 79975769
3-[3-(4-hydroxybut-1-ynyl)phenyl]-1,1-dimethylurea
CID 79154315
N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103021832
1-tert-butyl-3-[3-(4-hydroxybut-1-ynyl)phenyl]urea
CID 60814393
N-[3-(3-aminoprop-1-ynyl)phenyl]-2-thiophen-2-ylacetamide
CID 60803937
N-[3-[chloro(difluoro)methyl]phenyl]-2-thiophen-3-ylacetamide
CID 139604579
phenyl N-[3-(4-hydroxybut-1-ynyl)phenyl]carbamate
CID 60813714

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-3-ylacetamide (CID 60803359) is N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)Nc1cccc(C#CCCO)c1.
What is the InChIKey of N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-3-ylacetamide?
The InChIKey is HMNKBXOOPYVRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c18-8-2-1-4-13-5-3-6-15(10-13)17-16(19)11-14-7-9-20-12-14/h3,5-7,9-10,12,18H,2,8,11H2,(H,17,19).
What are the key properties of N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-3-ylacetamide?
N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-3-ylacetamide has a molecular weight of 285.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 60803359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).