N-(3-chloro-4-cyanophenyl)-3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

C18H19ClN4O2S — CID 55482854

IUPACN-(3-chloro-4-cyanophenyl)-3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESN#Cc1ccc(NC(=O)CCSc2nnc(C3CCCCC3)o2)cc1Cl
InChIInChI=1S/C18H19ClN4O2S/c19-15-10-14(7-6-13(15)11-20)21-16(24)8-9-26-18-23-22-17(25-18)12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2,(H,21,24)
InChIKeyWJTWMPQCWZYYNF-UHFFFAOYSA-N
MW390.90 g/mol
LogP4.76
Rot. Bonds6

About N-(3-chloro-4-cyanophenyl)-3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

N-(3-chloro-4-cyanophenyl)-3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (PubChem CID 55482854) has the molecular formula C18H19ClN4O2S and a molecular weight of 390.90 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
PubChem CID55482854
Molecular FormulaC18H19ClN4O2S
Molecular Weight390.90 g/mol
Exact Mass390.09
IUPAC NameN-(3-chloro-4-cyanophenyl)-3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESN#Cc1ccc(NC(=O)CCSc2nnc(C3CCCCC3)o2)cc1Cl
InChIInChI=1S/C18H19ClN4O2S/c19-15-10-14(7-6-13(15)11-20)21-16(24)8-9-26-18-23-22-17(25-18)12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2,(H,21,24)
InChIKeyWJTWMPQCWZYYNF-UHFFFAOYSA-N
XLogP4.76
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.90
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-chloro-4-cyanophenyl)-3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide with MolForge

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7907058
N-(3-cyanothiophen-2-yl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7957420
N-(3-chloro-4-cyanophenyl)-2-(cyclooctylamino)acetamide
CID 9265066
N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide
CID 54924873
methyl 3-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanoate
CID 23006669
(2R)-N-(3-chloro-4-cyanophenyl)oxolane-2-carboxamide
CID 900578
4-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]benzonitrile
CID 30704688
1-(3-chloro-4-cyanophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111636109
N-(3-chloro-4-cyanophenyl)-3-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 46683618
N-(3-chloro-4-cyanophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2103854
N-(3-chloro-4-methylphenyl)-3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]propanamide
CID 23746007
N-[4-[2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]-2-methylpropanamide
CID 9487650

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (CID 55482854) is N-(3-chloro-4-cyanophenyl)-3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is N#Cc1ccc(NC(=O)CCSc2nnc(C3CCCCC3)o2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is WJTWMPQCWZYYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2S/c19-15-10-14(7-6-13(15)11-20)21-16(24)8-9-26-18-23-22-17(25-18)12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2,(H,21,24).
What are the key properties of N-(3-chloro-4-cyanophenyl)-3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
N-(3-chloro-4-cyanophenyl)-3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 390.90 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-3-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 55482854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).