N-[3-(3-hexylthiophen-2-yl)prop-2-enyl]acetamide

C15H23NOS — CID 169465939

IUPACN-[3-(3-hexylthiophen-2-yl)prop-2-enyl]acetamide
SMILESCCCCCCc1ccsc1C=CCNC(C)=O
InChIInChI=1S/C15H23NOS/c1-3-4-5-6-8-14-10-12-18-15(14)9-7-11-16-13(2)17/h7,9-10,12H,3-6,8,11H2,1-2H3,(H,16,17)
InChIKeyFVAVSZZEKCJBNV-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.02
Rot. Bonds8

About N-[3-(3-hexylthiophen-2-yl)prop-2-enyl]acetamide

N-[3-(3-hexylthiophen-2-yl)prop-2-enyl]acetamide (PubChem CID 169465939) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-[3-(3-hexylthiophen-2-yl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-hexylthiophen-2-yl)prop-2-enyl]acetamide
PubChem CID169465939
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-[3-(3-hexylthiophen-2-yl)prop-2-enyl]acetamide
SMILESCCCCCCc1ccsc1C=CCNC(C)=O
InChIInChI=1S/C15H23NOS/c1-3-4-5-6-8-14-10-12-18-15(14)9-7-11-16-13(2)17/h7,9-10,12H,3-6,8,11H2,1-2H3,(H,16,17)
InChIKeyFVAVSZZEKCJBNV-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

S-[3-(3-hexylthiophen-2-yl)prop-2-enyl] ethanethioate
CID 169457695
3-undecyl-2-[(E)-2-(3-undecylthiophen-2-yl)ethenyl]thiophene
CID 141420064
3-dodecyl-2-[(E)-2-(3-dodecylthiophen-2-yl)ethenyl]thiophene;3-dodecylthiophene-2-carbaldehyde
CID 161286013
4-(3-butylthiophen-2-yl)but-3-enal
CID 170481673
2-ethenyl-3-tetradecylthiophene
CID 150440528
3-hexyl-2-[(1E,3E)-3-methyl-5-propan-2-ylideneundeca-1,3-dienyl]thiophene
CID 143882637
2-bromo-3-hexyl-5-[(E)-2-(3-hexylthiophen-2-yl)ethenyl]thiophene
CID 122364865
N-[(E)-pentadec-2-enyl]acetamide
CID 118028495
3-dodecylthiophene-2-sulfonamide
CID 154311081
2,3-didodecylthiophene
CID 66897470
1-(3-butylthiophen-2-yl)ethanone
CID 126660664
3-pentyl-2-(3-pentylthiophen-2-yl)thiophene
CID 86066815

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hexylthiophen-2-yl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(3-hexylthiophen-2-yl)prop-2-enyl]acetamide (CID 169465939) is N-[3-(3-hexylthiophen-2-yl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(3-hexylthiophen-2-yl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(3-hexylthiophen-2-yl)prop-2-enyl]acetamide is CCCCCCc1ccsc1C=CCNC(C)=O.
What is the InChIKey of N-[3-(3-hexylthiophen-2-yl)prop-2-enyl]acetamide?
The InChIKey is FVAVSZZEKCJBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-3-4-5-6-8-14-10-12-18-15(14)9-7-11-16-13(2)17/h7,9-10,12H,3-6,8,11H2,1-2H3,(H,16,17).
What are the key properties of N-[3-(3-hexylthiophen-2-yl)prop-2-enyl]acetamide?
N-[3-(3-hexylthiophen-2-yl)prop-2-enyl]acetamide has a molecular weight of 265.42 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hexylthiophen-2-yl)prop-2-enyl]acetamide is sourced from PubChem (CID 169465939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).