N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide

C18H24N4O5S3 — CID 100650682

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCCSc1nnc(NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)s1
InChIInChI=1S/C18H24N4O5S3/c1-3-28-18-21-20-17(29-18)19-16(23)7-4-13-12-14(5-6-15(13)26-2)30(24,25)22-8-10-27-11-9-22/h5-6,12H,3-4,7-11H2,1-2H3,(H,19,20,23)
InChIKeyIGSGYKMSWXGDTP-UHFFFAOYSA-N
MW472.61 g/mol
LogP2.25
Rot. Bonds9

About N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 100650682) has the molecular formula C18H24N4O5S3 and a molecular weight of 472.61 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID100650682
Molecular FormulaC18H24N4O5S3
Molecular Weight472.61 g/mol
Exact Mass472.09
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCCSc1nnc(NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)s1
InChIInChI=1S/C18H24N4O5S3/c1-3-28-18-21-20-17(29-18)19-16(23)7-4-13-12-14(5-6-15(13)26-2)30(24,25)22-8-10-27-11-9-22/h5-6,12H,3-4,7-11H2,1-2H3,(H,19,20,23)
InChIKeyIGSGYKMSWXGDTP-UHFFFAOYSA-N
XLogP2.25
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 133165831
methyl 3-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]-2-methylbenzoate
CID 100692700
N-[1-(3,4-dimethylphenyl)propyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 133161383
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2346465
3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 100767673
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 7733250
N-[5-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 100546992
3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[3-(4-methoxyphenyl)propyl]propanamide
CID 100619459
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 100642212
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
CID 20949840
N-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 4611533
ethyl N-[5-[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamate
CID 55504730

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide (CID 100650682) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide is CCSc1nnc(NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is IGSGYKMSWXGDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S3/c1-3-28-18-21-20-17(29-18)19-16(23)7-4-13-12-14(5-6-15(13)26-2)30(24,25)22-8-10-27-11-9-22/h5-6,12H,3-4,7-11H2,1-2H3,(H,19,20,23).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 472.61 g/mol, XLogP of 2.25, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 100650682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).