N-[3-[acetyl(hexyl)amino]thiophen-2-yl]acetamide

C14H22N2O2S — CID 3078778

IUPACN-[3-[acetyl(hexyl)amino]thiophen-2-yl]acetamide
SMILESCCCCCCN(C(C)=O)c1ccsc1NC(C)=O
InChIInChI=1S/C14H22N2O2S/c1-4-5-6-7-9-16(12(3)18)13-8-10-19-14(13)15-11(2)17/h8,10H,4-7,9H2,1-3H3,(H,15,17)
InChIKeyRSAQQUYDJHPZMK-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.64
Rot. Bonds7

About N-[3-[acetyl(hexyl)amino]thiophen-2-yl]acetamide

N-[3-[acetyl(hexyl)amino]thiophen-2-yl]acetamide (PubChem CID 3078778) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[3-[acetyl(hexyl)amino]thiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-[acetyl(hexyl)amino]thiophen-2-yl]acetamide
PubChem CID3078778
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[3-[acetyl(hexyl)amino]thiophen-2-yl]acetamide
SMILESCCCCCCN(C(C)=O)c1ccsc1NC(C)=O
InChIInChI=1S/C14H22N2O2S/c1-4-5-6-7-9-16(12(3)18)13-8-10-19-14(13)15-11(2)17/h8,10H,4-7,9H2,1-3H3,(H,15,17)
InChIKeyRSAQQUYDJHPZMK-UHFFFAOYSA-N
XLogP3.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.64
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[acetyl(hexyl)amino]thiophen-2-yl]acetamide?
The IUPAC name of N-[3-[acetyl(hexyl)amino]thiophen-2-yl]acetamide (CID 3078778) is N-[3-[acetyl(hexyl)amino]thiophen-2-yl]acetamide.
What is the SMILES notation for N-[3-[acetyl(hexyl)amino]thiophen-2-yl]acetamide?
The canonical SMILES for N-[3-[acetyl(hexyl)amino]thiophen-2-yl]acetamide is CCCCCCN(C(C)=O)c1ccsc1NC(C)=O.
What is the InChIKey of N-[3-[acetyl(hexyl)amino]thiophen-2-yl]acetamide?
The InChIKey is RSAQQUYDJHPZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-4-5-6-7-9-16(12(3)18)13-8-10-19-14(13)15-11(2)17/h8,10H,4-7,9H2,1-3H3,(H,15,17).
What are the key properties of N-[3-[acetyl(hexyl)amino]thiophen-2-yl]acetamide?
N-[3-[acetyl(hexyl)amino]thiophen-2-yl]acetamide has a molecular weight of 282.41 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[acetyl(hexyl)amino]thiophen-2-yl]acetamide is sourced from PubChem (CID 3078778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).