N-cyclohexyl-2-(4-fluorophenyl)-2-(2-methyl-N-(2-thiophen-3-ylacetyl)anilino)acetamide

C27H29FN2O2S — CID 3215240

IUPACN-cyclohexyl-2-(4-fluorophenyl)-2-(2-methyl-N-(2-thiophen-3-ylacetyl)anilino)acetamide
SMILESCc1ccccc1N(C(=O)Cc1ccsc1)C(C(=O)NC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C27H29FN2O2S/c1-19-7-5-6-10-24(19)30(25(31)17-20-15-16-33-18-20)26(21-11-13-22(28)14-12-21)27(32)29-23-8-3-2-4-9-23/h5-7,10-16,18,23,26H,2-4,8-9,17H2,1H3,(H,29,32)
InChIKeyQJTHKCNPEHWRAK-UHFFFAOYSA-N
MW464.61 g/mol
LogP5.96
Rot. Bonds7

About N-cyclohexyl-2-(4-fluorophenyl)-2-(2-methyl-N-(2-thiophen-3-ylacetyl)anilino)acetamide

N-cyclohexyl-2-(4-fluorophenyl)-2-(2-methyl-N-(2-thiophen-3-ylacetyl)anilino)acetamide (PubChem CID 3215240) has the molecular formula C27H29FN2O2S and a molecular weight of 464.61 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-fluorophenyl)-2-(2-methyl-N-(2-thiophen-3-ylacetyl)anilino)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-fluorophenyl)-2-(2-methyl-N-(2-thiophen-3-ylacetyl)anilino)acetamide
PubChem CID3215240
Molecular FormulaC27H29FN2O2S
Molecular Weight464.61 g/mol
Exact Mass464.19
IUPAC NameN-cyclohexyl-2-(4-fluorophenyl)-2-(2-methyl-N-(2-thiophen-3-ylacetyl)anilino)acetamide
SMILESCc1ccccc1N(C(=O)Cc1ccsc1)C(C(=O)NC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C27H29FN2O2S/c1-19-7-5-6-10-24(19)30(25(31)17-20-15-16-33-18-20)26(21-11-13-22(28)14-12-21)27(32)29-23-8-3-2-4-9-23/h5-7,10-16,18,23,26H,2-4,8-9,17H2,1H3,(H,29,32)
InChIKeyQJTHKCNPEHWRAK-UHFFFAOYSA-N
XLogP5.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-fluorophenyl)-2-(2-methyl-N-(2-thiophen-3-ylacetyl)anilino)acetamide?
The IUPAC name of N-cyclohexyl-2-(4-fluorophenyl)-2-(2-methyl-N-(2-thiophen-3-ylacetyl)anilino)acetamide (CID 3215240) is N-cyclohexyl-2-(4-fluorophenyl)-2-(2-methyl-N-(2-thiophen-3-ylacetyl)anilino)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-fluorophenyl)-2-(2-methyl-N-(2-thiophen-3-ylacetyl)anilino)acetamide?
The canonical SMILES for N-cyclohexyl-2-(4-fluorophenyl)-2-(2-methyl-N-(2-thiophen-3-ylacetyl)anilino)acetamide is Cc1ccccc1N(C(=O)Cc1ccsc1)C(C(=O)NC1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of N-cyclohexyl-2-(4-fluorophenyl)-2-(2-methyl-N-(2-thiophen-3-ylacetyl)anilino)acetamide?
The InChIKey is QJTHKCNPEHWRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O2S/c1-19-7-5-6-10-24(19)30(25(31)17-20-15-16-33-18-20)26(21-11-13-22(28)14-12-21)27(32)29-23-8-3-2-4-9-23/h5-7,10-16,18,23,26H,2-4,8-9,17H2,1H3,(H,29,32).
What are the key properties of N-cyclohexyl-2-(4-fluorophenyl)-2-(2-methyl-N-(2-thiophen-3-ylacetyl)anilino)acetamide?
N-cyclohexyl-2-(4-fluorophenyl)-2-(2-methyl-N-(2-thiophen-3-ylacetyl)anilino)acetamide has a molecular weight of 464.61 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-fluorophenyl)-2-(2-methyl-N-(2-thiophen-3-ylacetyl)anilino)acetamide is sourced from PubChem (CID 3215240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).