N-[2-(4-ethylsulfanylphenyl)ethyl]cyclopropanecarboxamide

C14H19NOS — CID 110790666

IUPACN-[2-(4-ethylsulfanylphenyl)ethyl]cyclopropanecarboxamide
SMILESCCSc1ccc(CCNC(=O)C2CC2)cc1
InChIInChI=1S/C14H19NOS/c1-2-17-13-7-3-11(4-8-13)9-10-15-14(16)12-5-6-12/h3-4,7-8,12H,2,5-6,9-10H2,1H3,(H,15,16)
InChIKeyIEANXXLDTQLEBD-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.87
Rot. Bonds6

About N-[2-(4-ethylsulfanylphenyl)ethyl]cyclopropanecarboxamide

N-[2-(4-ethylsulfanylphenyl)ethyl]cyclopropanecarboxamide (PubChem CID 110790666) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[2-(4-ethylsulfanylphenyl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylsulfanylphenyl)ethyl]cyclopropanecarboxamide
PubChem CID110790666
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC NameN-[2-(4-ethylsulfanylphenyl)ethyl]cyclopropanecarboxamide
SMILESCCSc1ccc(CCNC(=O)C2CC2)cc1
InChIInChI=1S/C14H19NOS/c1-2-17-13-7-3-11(4-8-13)9-10-15-14(16)12-5-6-12/h3-4,7-8,12H,2,5-6,9-10H2,1H3,(H,15,16)
InChIKeyIEANXXLDTQLEBD-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide
CID 110790662
N-[(4-ethylsulfanylphenyl)methyl]cyclobutanecarboxamide
CID 110784564
1-cyclopentyl-3-[2-(4-ethylsulfanylphenyl)ethyl]urea
CID 110776107
4-[2-(4-ethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673281
N-[2-(4-ethylsulfanylphenyl)ethyl]-2-oxopropanamide
CID 115175935
1-amino-3-[2-(4-ethylsulfanylphenyl)ethyl]urea
CID 115192940
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
N-[2-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 110790600
1-acetyl-N-[(4-ethylsulfanylphenyl)methyl]piperidine-4-carboxamide
CID 110794531
2-(ethylamino)-N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide
CID 115158053
N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 112529064
4-[2-(4-acetamidophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673195

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylsulfanylphenyl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(4-ethylsulfanylphenyl)ethyl]cyclopropanecarboxamide (CID 110790666) is N-[2-(4-ethylsulfanylphenyl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(4-ethylsulfanylphenyl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(4-ethylsulfanylphenyl)ethyl]cyclopropanecarboxamide is CCSc1ccc(CCNC(=O)C2CC2)cc1.
What is the InChIKey of N-[2-(4-ethylsulfanylphenyl)ethyl]cyclopropanecarboxamide?
The InChIKey is IEANXXLDTQLEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-2-17-13-7-3-11(4-8-13)9-10-15-14(16)12-5-6-12/h3-4,7-8,12H,2,5-6,9-10H2,1H3,(H,15,16).
What are the key properties of N-[2-(4-ethylsulfanylphenyl)ethyl]cyclopropanecarboxamide?
N-[2-(4-ethylsulfanylphenyl)ethyl]cyclopropanecarboxamide has a molecular weight of 249.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylsulfanylphenyl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 110790666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).