1-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide

C17H18ClNOS2 — CID 24548909

IUPAC1-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCSCc1cccs1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H18ClNOS2/c18-14-5-3-13(4-6-14)17(7-8-17)16(20)19-9-11-21-12-15-2-1-10-22-15/h1-6,10H,7-9,11-12H2,(H,19,20)
InChIKeyJWRLVBWHBNGMBB-UHFFFAOYSA-N
MW351.92 g/mol
LogP4.48
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 24548909) has the molecular formula C17H18ClNOS2 and a molecular weight of 351.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide
PubChem CID24548909
Molecular FormulaC17H18ClNOS2
Molecular Weight351.92 g/mol
Exact Mass351.05
IUPAC Name1-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCSCc1cccs1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H18ClNOS2/c18-14-5-3-13(4-6-14)17(7-8-17)16(20)19-9-11-21-12-15-2-1-10-22-15/h1-6,10H,7-9,11-12H2,(H,19,20)
InChIKeyJWRLVBWHBNGMBB-UHFFFAOYSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.92
LogP ≤ 54.48
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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Related Compounds

2,5-dichloro-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 46819854
2-(4-chlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
CID 7582665
N-(2-aminoethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119382939
1-phenyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 2517264
2-(2,4-dichlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
CID 7582593
N-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl]adamantane-1-carboxamide
CID 18116583
1-(4-chlorophenyl)-N-[2-(2-hydroxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 69262751
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 7604734
4-iodo-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 46684444
[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 2-chlorobenzoate
CID 8860321
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119627014
5-methyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide
CID 46516732

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide (CID 24548909) is 1-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide is O=C(NCCSCc1cccs1)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is JWRLVBWHBNGMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNOS2/c18-14-5-3-13(4-6-14)17(7-8-17)16(20)19-9-11-21-12-15-2-1-10-22-15/h1-6,10H,7-9,11-12H2,(H,19,20).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 351.92 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 24548909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).