3-(cyclohexylcarbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide

C19H28FN3O2S — CID 24658811

IUPAC3-(cyclohexylcarbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide
SMILESO=C(CCNC(=O)NC1CCCCC1)NCCSCc1ccccc1F
InChIInChI=1S/C19H28FN3O2S/c20-17-9-5-4-6-15(17)14-26-13-12-21-18(24)10-11-22-19(25)23-16-7-2-1-3-8-16/h4-6,9,16H,1-3,7-8,10-14H2,(H,21,24)(H2,22,23,25)
InChIKeyBPVGOVZZWWGGLU-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.20
Rot. Bonds9

About 3-(cyclohexylcarbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide

3-(cyclohexylcarbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide (PubChem CID 24658811) has the molecular formula C19H28FN3O2S and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-(cyclohexylcarbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(cyclohexylcarbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide
PubChem CID24658811
Molecular FormulaC19H28FN3O2S
Molecular Weight381.52 g/mol
Exact Mass381.19
IUPAC Name3-(cyclohexylcarbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide
SMILESO=C(CCNC(=O)NC1CCCCC1)NCCSCc1ccccc1F
InChIInChI=1S/C19H28FN3O2S/c20-17-9-5-4-6-15(17)14-26-13-12-21-18(24)10-11-22-19(25)23-16-7-2-1-3-8-16/h4-6,9,16H,1-3,7-8,10-14H2,(H,21,24)(H2,22,23,25)
InChIKeyBPVGOVZZWWGGLU-UHFFFAOYSA-N
XLogP3.20
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylcarbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide?
The IUPAC name of 3-(cyclohexylcarbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide (CID 24658811) is 3-(cyclohexylcarbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide.
What is the SMILES notation for 3-(cyclohexylcarbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide?
The canonical SMILES for 3-(cyclohexylcarbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide is O=C(CCNC(=O)NC1CCCCC1)NCCSCc1ccccc1F.
What is the InChIKey of 3-(cyclohexylcarbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide?
The InChIKey is BPVGOVZZWWGGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2S/c20-17-9-5-4-6-15(17)14-26-13-12-21-18(24)10-11-22-19(25)23-16-7-2-1-3-8-16/h4-6,9,16H,1-3,7-8,10-14H2,(H,21,24)(H2,22,23,25).
What are the key properties of 3-(cyclohexylcarbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide?
3-(cyclohexylcarbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide has a molecular weight of 381.52 g/mol, XLogP of 3.20, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylcarbamoylamino)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide is sourced from PubChem (CID 24658811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).