(2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclohexylmethyl)propanamide

C18H22ClN3O2S — CID 7558904

IUPAC(2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclohexylmethyl)propanamide
SMILESC[C@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)NCC1CCCCC1
InChIInChI=1S/C18H22ClN3O2S/c1-12(16(23)20-11-13-5-3-2-4-6-13)25-18-22-21-17(24-18)14-7-9-15(19)10-8-14/h7-10,12-13H,2-6,11H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyDKRWWOMVRHNVRT-LBPRGKRZSA-N
MW379.91 g/mol
LogP4.57
Rot. Bonds6

About (2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclohexylmethyl)propanamide

(2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclohexylmethyl)propanamide (PubChem CID 7558904) has the molecular formula C18H22ClN3O2S and a molecular weight of 379.91 g/mol. Its IUPAC name is (2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclohexylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclohexylmethyl)propanamide
PubChem CID7558904
Molecular FormulaC18H22ClN3O2S
Molecular Weight379.91 g/mol
Exact Mass379.11
IUPAC Name(2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclohexylmethyl)propanamide
SMILESC[C@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)NCC1CCCCC1
InChIInChI=1S/C18H22ClN3O2S/c1-12(16(23)20-11-13-5-3-2-4-6-13)25-18-22-21-17(24-18)14-7-9-15(19)10-8-14/h7-10,12-13H,2-6,11H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyDKRWWOMVRHNVRT-LBPRGKRZSA-N
XLogP4.57
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclohexylmethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 4783542
N-(4-chlorophenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78564518
(2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 7558886
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-chlorophenyl)methyl]propanamide
CID 24500364
(2S)-2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclohexylpropanamide
CID 7562787
(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cycloheptylpropanamide
CID 9382630
(2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylpropan-1-one
CID 7940540
(2S)-N-(cyclohexylcarbamoyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7816551
N-cyclohexyl-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 17430485
(2R)-N-cyclohexyl-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 40579060
(2R)-N-(cyclohexylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7170645
(2S)-N-(cyclohexylcarbamoyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7170644

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclohexylmethyl)propanamide?
The IUPAC name of (2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclohexylmethyl)propanamide (CID 7558904) is (2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclohexylmethyl)propanamide.
What is the SMILES notation for (2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclohexylmethyl)propanamide?
The canonical SMILES for (2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclohexylmethyl)propanamide is C[C@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)NCC1CCCCC1.
What is the InChIKey of (2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclohexylmethyl)propanamide?
The InChIKey is DKRWWOMVRHNVRT-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22ClN3O2S/c1-12(16(23)20-11-13-5-3-2-4-6-13)25-18-22-21-17(24-18)14-7-9-15(19)10-8-14/h7-10,12-13H,2-6,11H2,1H3,(H,20,23)/t12-/m0/s1.
What are the key properties of (2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclohexylmethyl)propanamide?
(2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclohexylmethyl)propanamide has a molecular weight of 379.91 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyclohexylmethyl)propanamide is sourced from PubChem (CID 7558904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).