N-cyclohexyl-2-[(2-fluorocyclohexa-1,5-dien-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide

C26H29FN2O2S — CID 163543998

IUPACN-cyclohexyl-2-[(2-fluorocyclohexa-1,5-dien-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
SMILESO=C(NC1CCCCC1)C(c1ccccc1)N(C(=O)Cc1cccs1)C1=C(F)CCC=C1
InChIInChI=1S/C26H29FN2O2S/c27-22-15-7-8-16-23(22)29(24(30)18-21-14-9-17-32-21)25(19-10-3-1-4-11-19)26(31)28-20-12-5-2-6-13-20/h1,3-4,8-11,14,16-17,20,25H,2,5-7,12-13,15,18H2,(H,28,31)
InChIKeyFDLKJMXWBMZDPA-UHFFFAOYSA-N
MW452.60 g/mol
LogP5.84
Rot. Bonds7

About N-cyclohexyl-2-[(2-fluorocyclohexa-1,5-dien-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide

N-cyclohexyl-2-[(2-fluorocyclohexa-1,5-dien-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide (PubChem CID 163543998) has the molecular formula C26H29FN2O2S and a molecular weight of 452.60 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2-fluorocyclohexa-1,5-dien-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(2-fluorocyclohexa-1,5-dien-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
PubChem CID163543998
Molecular FormulaC26H29FN2O2S
Molecular Weight452.60 g/mol
Exact Mass452.19
IUPAC NameN-cyclohexyl-2-[(2-fluorocyclohexa-1,5-dien-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
SMILESO=C(NC1CCCCC1)C(c1ccccc1)N(C(=O)Cc1cccs1)C1=C(F)CCC=C1
InChIInChI=1S/C26H29FN2O2S/c27-22-15-7-8-16-23(22)29(24(30)18-21-14-9-17-32-21)25(19-10-3-1-4-11-19)26(31)28-20-12-5-2-6-13-20/h1,3-4,8-11,14,16-17,20,25H,2,5-7,12-13,15,18H2,(H,28,31)
InChIKeyFDLKJMXWBMZDPA-UHFFFAOYSA-N
XLogP5.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3202956
N-cyclopentyl-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202613
N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3202881
N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3202943
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-4-ylacetamide
CID 3191114
(2R)-N-cyclohexyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl-(2-thiophen-2-ylacetyl)amino]-2-(4-fluorophenyl)acetamide
CID 1167860
(2R)-2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 40580851
methyl 4-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-(2-thiophen-2-ylacetyl)amino]benzoate
CID 3184916
N-cyclopentyl-2-(2-fluorophenyl)-2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202815
N-cyclopentyl-2-(3-methoxyphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202719
(2R)-N-cyclopentyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-thiophen-2-ylacetamide
CID 1435964
N-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
CID 3202609

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(2-fluorocyclohexa-1,5-dien-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide?
The IUPAC name of N-cyclohexyl-2-[(2-fluorocyclohexa-1,5-dien-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide (CID 163543998) is N-cyclohexyl-2-[(2-fluorocyclohexa-1,5-dien-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[(2-fluorocyclohexa-1,5-dien-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide?
The canonical SMILES for N-cyclohexyl-2-[(2-fluorocyclohexa-1,5-dien-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide is O=C(NC1CCCCC1)C(c1ccccc1)N(C(=O)Cc1cccs1)C1=C(F)CCC=C1.
What is the InChIKey of N-cyclohexyl-2-[(2-fluorocyclohexa-1,5-dien-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide?
The InChIKey is FDLKJMXWBMZDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O2S/c27-22-15-7-8-16-23(22)29(24(30)18-21-14-9-17-32-21)25(19-10-3-1-4-11-19)26(31)28-20-12-5-2-6-13-20/h1,3-4,8-11,14,16-17,20,25H,2,5-7,12-13,15,18H2,(H,28,31).
What are the key properties of N-cyclohexyl-2-[(2-fluorocyclohexa-1,5-dien-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide?
N-cyclohexyl-2-[(2-fluorocyclohexa-1,5-dien-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide has a molecular weight of 452.60 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(2-fluorocyclohexa-1,5-dien-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide is sourced from PubChem (CID 163543998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).