N-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]thiophene-2-carboxamide

C18H20N2O3S — CID 51102607

IUPACN-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]thiophene-2-carboxamide
SMILESO=C(COC1CCCC1)Nc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C18H20N2O3S/c21-17(12-23-15-4-1-2-5-15)19-13-7-9-14(10-8-13)20-18(22)16-6-3-11-24-16/h3,6-11,15H,1-2,4-5,12H2,(H,19,21)(H,20,22)
InChIKeyJRJBVGBEIUKLJZ-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.90
Rot. Bonds6

About N-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]thiophene-2-carboxamide

N-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]thiophene-2-carboxamide (PubChem CID 51102607) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]thiophene-2-carboxamide
PubChem CID51102607
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]thiophene-2-carboxamide
SMILESO=C(COC1CCCC1)Nc1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C18H20N2O3S/c21-17(12-23-15-4-1-2-5-15)19-13-7-9-14(10-8-13)20-18(22)16-6-3-11-24-16/h3,6-11,15H,1-2,4-5,12H2,(H,19,21)(H,20,22)
InChIKeyJRJBVGBEIUKLJZ-UHFFFAOYSA-N
XLogP3.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide
CID 112980718
N-(4-aminophenyl)-2-cyclopentyloxyacetamide
CID 16783535
N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 2994859
N-[4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 47091651
[4-(thiophene-2-carbonylamino)phenyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 31493553
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-[4-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 21211528
N-[4-(thiophene-2-carbonylamino)phenyl]piperidine-2-carboxamide
CID 119309311
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119759073
N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64792647
N-(4-sulfanylphenyl)thiophene-2-carboxamide
CID 27126639
N-[4-(2-ethylpiperidin-1-yl)phenyl]thiophene-2-carboxamide
CID 112985429

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]thiophene-2-carboxamide (CID 51102607) is N-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]thiophene-2-carboxamide is O=C(COC1CCCC1)Nc1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]thiophene-2-carboxamide?
The InChIKey is JRJBVGBEIUKLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-17(12-23-15-4-1-2-5-15)19-13-7-9-14(10-8-13)20-18(22)16-6-3-11-24-16/h3,6-11,15H,1-2,4-5,12H2,(H,19,21)(H,20,22).
What are the key properties of N-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]thiophene-2-carboxamide?
N-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]thiophene-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 51102607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).