2-(furan-2-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide

C15H17NO2S2 — CID 47450038

IUPAC2-(furan-2-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCSCc1cccs1)C1CC1c1ccco1
InChIInChI=1S/C15H17NO2S2/c17-15(13-9-12(13)14-4-1-6-18-14)16-5-8-19-10-11-3-2-7-20-11/h1-4,6-7,12-13H,5,8-10H2,(H,16,17)
InChIKeyUCRZDQGAEWONDV-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.49
Rot. Bonds7

About 2-(furan-2-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide

2-(furan-2-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 47450038) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide
PubChem CID47450038
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC Name2-(furan-2-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCSCc1cccs1)C1CC1c1ccco1
InChIInChI=1S/C15H17NO2S2/c17-15(13-9-12(13)14-4-1-6-18-14)16-5-8-19-10-11-3-2-7-20-11/h1-4,6-7,12-13H,5,8-10H2,(H,16,17)
InChIKeyUCRZDQGAEWONDV-UHFFFAOYSA-N
XLogP3.49
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-9H-xanthene-9-carboxamide
CID 7993088
trans-(1R,2R)-2-(furan-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 97030333
1-(pyrrolidine-1-carbonyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]piperidine-3-carboxamide
CID 47030902
N-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl]adamantane-1-carboxamide
CID 18116583
2-(furan-2-yl)-N-(2-naphthalen-2-ylethyl)cyclopropane-1-carboxamide
CID 86852820
2-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 47466338
4-iodo-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 46684444
2-(furan-2-yl)-N-[3-(2-methylpropoxy)propyl]cyclopropane-1-carboxamide
CID 86852643
3-(cyclopropanecarbonylamino)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]naphthalene-2-carboxamide
CID 24595739
2-[[[(1R,2S)-2-(furan-2-yl)cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 99605986
5-methyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide
CID 46516732
1-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide
CID 24548909

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide (CID 47450038) is 2-(furan-2-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide is O=C(NCCSCc1cccs1)C1CC1c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is UCRZDQGAEWONDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S2/c17-15(13-9-12(13)14-4-1-6-18-14)16-5-8-19-10-11-3-2-7-20-11/h1-4,6-7,12-13H,5,8-10H2,(H,16,17).
What are the key properties of 2-(furan-2-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide?
2-(furan-2-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 47450038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).