N-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide

C17H18ClNO2S — CID 42435588

IUPACN-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1(c2cccs2)CCCC1
InChIInChI=1S/C17H18ClNO2S/c1-21-14-7-6-12(18)11-13(14)19-16(20)17(8-2-3-9-17)15-5-4-10-22-15/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,20)
InChIKeyDPMKLPBBTZGFRD-UHFFFAOYSA-N
MW335.86 g/mol
LogP4.86
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide

N-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 42435588) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID42435588
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1(c2cccs2)CCCC1
InChIInChI=1S/C17H18ClNO2S/c1-21-14-7-6-12(18)11-13(14)19-16(20)17(8-2-3-9-17)15-5-4-10-22-15/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,20)
InChIKeyDPMKLPBBTZGFRD-UHFFFAOYSA-N
XLogP4.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 42435588) is N-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide is COc1ccc(Cl)cc1NC(=O)C1(c2cccs2)CCCC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is DPMKLPBBTZGFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-21-14-7-6-12(18)11-13(14)19-16(20)17(8-2-3-9-17)15-5-4-10-22-15/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,20).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 335.86 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 42435588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).