N-ethyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylpropanamide

C15H19N3OS3 — CID 84602769

IUPACN-ethyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylpropanamide
SMILESCCSc1nnc(SC(C)C(=O)N(CC)c2ccccc2)s1
InChIInChI=1S/C15H19N3OS3/c1-4-18(12-9-7-6-8-10-12)13(19)11(3)21-15-17-16-14(22-15)20-5-2/h6-11H,4-5H2,1-3H3
InChIKeyJQMGTPHJGWGFHR-UHFFFAOYSA-N
MW353.54 g/mol
LogP4.18
Rot. Bonds7

About N-ethyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylpropanamide

N-ethyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylpropanamide (PubChem CID 84602769) has the molecular formula C15H19N3OS3 and a molecular weight of 353.54 g/mol. Its IUPAC name is N-ethyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylpropanamide
PubChem CID84602769
Molecular FormulaC15H19N3OS3
Molecular Weight353.54 g/mol
Exact Mass353.07
IUPAC NameN-ethyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylpropanamide
SMILESCCSc1nnc(SC(C)C(=O)N(CC)c2ccccc2)s1
InChIInChI=1S/C15H19N3OS3/c1-4-18(12-9-7-6-8-10-12)13(19)11(3)21-15-17-16-14(22-15)20-5-2/h6-11H,4-5H2,1-3H3
InChIKeyJQMGTPHJGWGFHR-UHFFFAOYSA-N
XLogP4.18
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.54
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-ethyl-N-phenylpropanamide
CID 2673747
(2S)-N-ethyl-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide
CID 9221271
2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenylpropanamide
CID 43030009
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 55309277
2-(2-chlorophenyl)sulfanyl-N-ethyl-N-phenylpropanamide
CID 112778882
(2R)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-N-phenylpropanamide
CID 2673778
(2S)-N-ethyl-N-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 2673980
(2R)-N-ethyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-phenylpropanamide
CID 8916171
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-ethyl-N-phenylpropanamide
CID 51258457
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-phenylpropanamide
CID 4814927
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-phenylpropanamide
CID 2637961
2-chloro-N-ethyl-N,2-diphenylacetamide
CID 43245479

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylpropanamide?
The IUPAC name of N-ethyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylpropanamide (CID 84602769) is N-ethyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylpropanamide.
What is the SMILES notation for N-ethyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylpropanamide?
The canonical SMILES for N-ethyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylpropanamide is CCSc1nnc(SC(C)C(=O)N(CC)c2ccccc2)s1.
What is the InChIKey of N-ethyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylpropanamide?
The InChIKey is JQMGTPHJGWGFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS3/c1-4-18(12-9-7-6-8-10-12)13(19)11(3)21-15-17-16-14(22-15)20-5-2/h6-11H,4-5H2,1-3H3.
What are the key properties of N-ethyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylpropanamide?
N-ethyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylpropanamide has a molecular weight of 353.54 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-phenylpropanamide is sourced from PubChem (CID 84602769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).