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

C14H16ClN3O2S2 — CID 134010666

IUPACN-[(4-chlorophenyl)methyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCSCc1nnc(SC(C)C(=O)NCc2ccc(Cl)cc2)o1
InChIInChI=1S/C14H16ClN3O2S2/c1-9(22-14-18-17-12(20-14)8-21-2)13(19)16-7-10-3-5-11(15)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyDPWMUZHAOZNZRV-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.38
Rot. Bonds7

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

N-[(4-chlorophenyl)methyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 134010666) has the molecular formula C14H16ClN3O2S2 and a molecular weight of 357.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
PubChem CID134010666
Molecular FormulaC14H16ClN3O2S2
Molecular Weight357.89 g/mol
Exact Mass357.04
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCSCc1nnc(SC(C)C(=O)NCc2ccc(Cl)cc2)o1
InChIInChI=1S/C14H16ClN3O2S2/c1-9(22-14-18-17-12(20-14)8-21-2)13(19)16-7-10-3-5-11(15)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyDPWMUZHAOZNZRV-UHFFFAOYSA-N
XLogP3.38
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-chlorophenyl)methyl]propanamide
CID 24500364
(2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 848333
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
CID 26745796
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 46621783
(3S)-3-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butan-2-one
CID 95591919
(2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 7558886
N-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)sulfanylpropanamide
CID 60594314
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 42885579
(2R)-N-[(4-methylphenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 92509982
ethyl 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 60600465
2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)propanamide
CID 47132288
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 25444213

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 134010666) is N-[(4-chlorophenyl)methyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is CSCc1nnc(SC(C)C(=O)NCc2ccc(Cl)cc2)o1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is DPWMUZHAOZNZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S2/c1-9(22-14-18-17-12(20-14)8-21-2)13(19)16-7-10-3-5-11(15)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,16,19).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
N-[(4-chlorophenyl)methyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 357.89 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 134010666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).