3-(cyclohexylcarbamoylamino)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide

C19H26FN3O2S — CID 24620863

IUPAC3-(cyclohexylcarbamoylamino)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide
SMILESO=C(CCNC(=O)NC1CCCCC1)NC1CCSc2ccc(F)cc21
InChIInChI=1S/C19H26FN3O2S/c20-13-6-7-17-15(12-13)16(9-11-26-17)23-18(24)8-10-21-19(25)22-14-4-2-1-3-5-14/h6-7,12,14,16H,1-5,8-11H2,(H,23,24)(H2,21,22,25)
InChIKeyWDLFAEIYACHAGE-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.50
Rot. Bonds5

About 3-(cyclohexylcarbamoylamino)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide

3-(cyclohexylcarbamoylamino)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide (PubChem CID 24620863) has the molecular formula C19H26FN3O2S and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-(cyclohexylcarbamoylamino)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide.

Molecular Properties

Compound Name3-(cyclohexylcarbamoylamino)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide
PubChem CID24620863
Molecular FormulaC19H26FN3O2S
Molecular Weight379.50 g/mol
Exact Mass379.17
IUPAC Name3-(cyclohexylcarbamoylamino)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide
SMILESO=C(CCNC(=O)NC1CCCCC1)NC1CCSc2ccc(F)cc21
InChIInChI=1S/C19H26FN3O2S/c20-13-6-7-17-15(12-13)16(9-11-26-17)23-18(24)8-10-21-19(25)22-14-4-2-1-3-5-14/h6-7,12,14,16H,1-5,8-11H2,(H,23,24)(H2,21,22,25)
InChIKeyWDLFAEIYACHAGE-UHFFFAOYSA-N
XLogP3.50
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylcarbamoylamino)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide?
The IUPAC name of 3-(cyclohexylcarbamoylamino)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide (CID 24620863) is 3-(cyclohexylcarbamoylamino)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide.
What is the SMILES notation for 3-(cyclohexylcarbamoylamino)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide?
The canonical SMILES for 3-(cyclohexylcarbamoylamino)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide is O=C(CCNC(=O)NC1CCCCC1)NC1CCSc2ccc(F)cc21.
What is the InChIKey of 3-(cyclohexylcarbamoylamino)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide?
The InChIKey is WDLFAEIYACHAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2S/c20-13-6-7-17-15(12-13)16(9-11-26-17)23-18(24)8-10-21-19(25)22-14-4-2-1-3-5-14/h6-7,12,14,16H,1-5,8-11H2,(H,23,24)(H2,21,22,25).
What are the key properties of 3-(cyclohexylcarbamoylamino)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide?
3-(cyclohexylcarbamoylamino)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide has a molecular weight of 379.50 g/mol, XLogP of 3.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylcarbamoylamino)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide is sourced from PubChem (CID 24620863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).