N-[4-(2-methoxyphenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

C21H23NO3S — CID 71802934

IUPACN-[4-(2-methoxyphenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCOc1ccccc1OCC#CCNC(=O)C1(c2cccs2)CCCC1
InChIInChI=1S/C21H23NO3S/c1-24-17-9-2-3-10-18(17)25-15-7-6-14-22-20(23)21(12-4-5-13-21)19-11-8-16-26-19/h2-3,8-11,16H,4-5,12-15H2,1H3,(H,22,23)
InChIKeyRHUHXQFBWIBZDU-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.77
Rot. Bonds6

About N-[4-(2-methoxyphenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

N-[4-(2-methoxyphenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 71802934) has the molecular formula C21H23NO3S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[4-(2-methoxyphenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID71802934
Molecular FormulaC21H23NO3S
Molecular Weight369.49 g/mol
Exact Mass369.14
IUPAC NameN-[4-(2-methoxyphenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCOc1ccccc1OCC#CCNC(=O)C1(c2cccs2)CCCC1
InChIInChI=1S/C21H23NO3S/c1-24-17-9-2-3-10-18(17)25-15-7-6-14-22-20(23)21(12-4-5-13-21)19-11-8-16-26-19/h2-3,8-11,16H,4-5,12-15H2,1H3,(H,22,23)
InChIKeyRHUHXQFBWIBZDU-UHFFFAOYSA-N
XLogP3.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-fluorophenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 90574572
N-(2-methoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435562
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 90598067
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 121137407
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 90581131
N-[2-(2-chlorophenyl)-2-methoxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 90623771
N-(2-amino-2-ethylbutyl)-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 119642271
1-[(3,4-dimethoxyphenyl)methyl]-3-[4-(2-methoxyphenoxy)but-2-ynyl]urea
CID 90575695
N-[2-(2-methoxyphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 100551991
N-[(2-hydroxycyclopentyl)methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 111471238
2-cyclohexyl-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
CID 90575527
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 71782161

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[4-(2-methoxyphenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 71802934) is N-[4-(2-methoxyphenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-(2-methoxyphenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[4-(2-methoxyphenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is COc1ccccc1OCC#CCNC(=O)C1(c2cccs2)CCCC1.
What is the InChIKey of N-[4-(2-methoxyphenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is RHUHXQFBWIBZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3S/c1-24-17-9-2-3-10-18(17)25-15-7-6-14-22-20(23)21(12-4-5-13-21)19-11-8-16-26-19/h2-3,8-11,16H,4-5,12-15H2,1H3,(H,22,23).
What are the key properties of N-[4-(2-methoxyphenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[4-(2-methoxyphenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 71802934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).