2-cycloheptyl-N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide

C26H33FN2O2S — CID 122537155

IUPAC2-cycloheptyl-N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESO=C(NC1CCCC1)C(C1CCCCCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1
InChIInChI=1S/C26H33FN2O2S/c27-20-11-7-14-22(17-20)29(24(30)18-23-15-8-16-32-23)25(19-9-3-1-2-4-10-19)26(31)28-21-12-5-6-13-21/h7-8,11,14-17,19,21,25H,1-6,9-10,12-13,18H2,(H,28,31)
InChIKeyUCFAXNPKKHYZIP-UHFFFAOYSA-N
MW456.63 g/mol
LogP5.86
Rot. Bonds7

About 2-cycloheptyl-N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide

2-cycloheptyl-N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide (PubChem CID 122537155) has the molecular formula C26H33FN2O2S and a molecular weight of 456.63 g/mol. Its IUPAC name is 2-cycloheptyl-N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide.

Molecular Properties

Compound Name2-cycloheptyl-N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide
PubChem CID122537155
Molecular FormulaC26H33FN2O2S
Molecular Weight456.63 g/mol
Exact Mass456.22
IUPAC Name2-cycloheptyl-N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESO=C(NC1CCCC1)C(C1CCCCCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1
InChIInChI=1S/C26H33FN2O2S/c27-20-11-7-14-22(17-20)29(24(30)18-23-15-8-16-32-23)25(19-9-3-1-2-4-10-19)26(31)28-21-12-5-6-13-21/h7-8,11,14-17,19,21,25H,1-6,9-10,12-13,18H2,(H,28,31)
InChIKeyUCFAXNPKKHYZIP-UHFFFAOYSA-N
XLogP5.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.63
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 40580851
(2R)-N-cyclopentyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide
CID 1435964
(2R)-N-cyclohexyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl-(2-thiophen-2-ylacetyl)amino]-2-(4-fluorophenyl)acetamide
CID 1167860
(2R)-N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide
CID 25310452
2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)-N-piperidin-4-ylacetamide
CID 71461016
(2S)-N-cyclohexyl-2-(4-hydroxyphenyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1168238
N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(1-methylpyrrol-2-yl)acetamide
CID 3191201
2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 3202898
N-cyclopentyl-2-(3-methoxyphenyl)-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202705
methyl 4-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-(2-thiophen-2-ylacetyl)amino]benzoate
CID 3184916
2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 56645149
N-cyclohexyl-2-(3-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
CID 3191107

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The IUPAC name of 2-cycloheptyl-N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide (CID 122537155) is 2-cycloheptyl-N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide.
What is the SMILES notation for 2-cycloheptyl-N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The canonical SMILES for 2-cycloheptyl-N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide is O=C(NC1CCCC1)C(C1CCCCCC1)N(C(=O)Cc1cccs1)c1cccc(F)c1.
What is the InChIKey of 2-cycloheptyl-N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The InChIKey is UCFAXNPKKHYZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN2O2S/c27-20-11-7-14-22(17-20)29(24(30)18-23-15-8-16-32-23)25(19-9-3-1-2-4-10-19)26(31)28-21-12-5-6-13-21/h7-8,11,14-17,19,21,25H,1-6,9-10,12-13,18H2,(H,28,31).
What are the key properties of 2-cycloheptyl-N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide?
2-cycloheptyl-N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide has a molecular weight of 456.63 g/mol, XLogP of 5.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide is sourced from PubChem (CID 122537155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).