2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]benzamide

C24H29FN2O2S — CID 26796067

IUPAC2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]benzamide
SMILESO=C(CSc1ccccc1C(=O)NCCc1ccc(F)cc1)NCC1CCCCC1
InChIInChI=1S/C24H29FN2O2S/c25-20-12-10-18(11-13-20)14-15-26-24(29)21-8-4-5-9-22(21)30-17-23(28)27-16-19-6-2-1-3-7-19/h4-5,8-13,19H,1-3,6-7,14-17H2,(H,26,29)(H,27,28)
InChIKeyXYHHDVNLRDRGKN-UHFFFAOYSA-N
MW428.57 g/mol
LogP4.59
Rot. Bonds9

About 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]benzamide

2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]benzamide (PubChem CID 26796067) has the molecular formula C24H29FN2O2S and a molecular weight of 428.57 g/mol. Its IUPAC name is 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]benzamide
PubChem CID26796067
Molecular FormulaC24H29FN2O2S
Molecular Weight428.57 g/mol
Exact Mass428.19
IUPAC Name2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]benzamide
SMILESO=C(CSc1ccccc1C(=O)NCCc1ccc(F)cc1)NCC1CCCCC1
InChIInChI=1S/C24H29FN2O2S/c25-20-12-10-18(11-13-20)14-15-26-24(29)21-8-4-5-9-22(21)30-17-23(28)27-16-19-6-2-1-3-7-19/h4-5,8-13,19H,1-3,6-7,14-17H2,(H,26,29)(H,27,28)
InChIKeyXYHHDVNLRDRGKN-UHFFFAOYSA-N
XLogP4.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.57
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]benzamide (CID 26796067) is 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]benzamide is O=C(CSc1ccccc1C(=O)NCCc1ccc(F)cc1)NCC1CCCCC1.
What is the InChIKey of 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is XYHHDVNLRDRGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2S/c25-20-12-10-18(11-13-20)14-15-26-24(29)21-8-4-5-9-22(21)30-17-23(28)27-16-19-6-2-1-3-7-19/h4-5,8-13,19H,1-3,6-7,14-17H2,(H,26,29)(H,27,28).
What are the key properties of 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]benzamide?
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 428.57 g/mol, XLogP of 4.59, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 26796067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).