N-[2-(5-acetylthiophen-2-yl)ethyl]cyclobutanecarboxamide

C13H17NO2S — CID 91817317

IUPACN-[2-(5-acetylthiophen-2-yl)ethyl]cyclobutanecarboxamide
SMILESCC(=O)c1ccc(CCNC(=O)C2CCC2)s1
InChIInChI=1S/C13H17NO2S/c1-9(15)12-6-5-11(17-12)7-8-14-13(16)10-3-2-4-10/h5-6,10H,2-4,7-8H2,1H3,(H,14,16)
InChIKeyZPFNSKLDPPPSOL-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.41
Rot. Bonds5

About N-[2-(5-acetylthiophen-2-yl)ethyl]cyclobutanecarboxamide

N-[2-(5-acetylthiophen-2-yl)ethyl]cyclobutanecarboxamide (PubChem CID 91817317) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-[2-(5-acetylthiophen-2-yl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(5-acetylthiophen-2-yl)ethyl]cyclobutanecarboxamide
PubChem CID91817317
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC NameN-[2-(5-acetylthiophen-2-yl)ethyl]cyclobutanecarboxamide
SMILESCC(=O)c1ccc(CCNC(=O)C2CCC2)s1
InChIInChI=1S/C13H17NO2S/c1-9(15)12-6-5-11(17-12)7-8-14-13(16)10-3-2-4-10/h5-6,10H,2-4,7-8H2,1H3,(H,14,16)
InChIKeyZPFNSKLDPPPSOL-UHFFFAOYSA-N
XLogP2.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(cyclohexanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 43098333
1-acetyl-N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-4-carboxamide
CID 18154851
(3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-3-carboxamide
CID 106047918
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclohexane-1-carboxamide
CID 103809468
N-[2-(5-bromothiophen-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 115150875
5-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 24689033
methyl 4-[2-(5-acetylthiophen-2-yl)ethylcarbamoyl]benzoate
CID 91817348
cis-(1S,3R)-3-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114138901
N-[2-(5-acetylthiophen-2-yl)ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 91817367
4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]cyclohexane-1-carboxamide
CID 103808336
N-[2-(5-acetylthiophen-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 91817354
N-[2-(5-bromothiophen-2-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119699604

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-acetylthiophen-2-yl)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(5-acetylthiophen-2-yl)ethyl]cyclobutanecarboxamide (CID 91817317) is N-[2-(5-acetylthiophen-2-yl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(5-acetylthiophen-2-yl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(5-acetylthiophen-2-yl)ethyl]cyclobutanecarboxamide is CC(=O)c1ccc(CCNC(=O)C2CCC2)s1.
What is the InChIKey of N-[2-(5-acetylthiophen-2-yl)ethyl]cyclobutanecarboxamide?
The InChIKey is ZPFNSKLDPPPSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-9(15)12-6-5-11(17-12)7-8-14-13(16)10-3-2-4-10/h5-6,10H,2-4,7-8H2,1H3,(H,14,16).
What are the key properties of N-[2-(5-acetylthiophen-2-yl)ethyl]cyclobutanecarboxamide?
N-[2-(5-acetylthiophen-2-yl)ethyl]cyclobutanecarboxamide has a molecular weight of 251.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-acetylthiophen-2-yl)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 91817317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).