N-[5-(3-naphthalen-1-ylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide

C18H20N4O3S2 — CID 100760488

IUPACN-[5-(3-naphthalen-1-ylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(S(=O)(=O)NCCCc2cccc3ccccc23)s1
InChIInChI=1S/C18H20N4O3S2/c1-2-16(23)20-17-21-22-18(26-17)27(24,25)19-12-6-10-14-9-5-8-13-7-3-4-11-15(13)14/h3-5,7-9,11,19H,2,6,10,12H2,1H3,(H,20,21,23)
InChIKeyGBQJFIOSJRDKAJ-UHFFFAOYSA-N
MW404.52 g/mol
LogP2.95
Rot. Bonds8

About N-[5-(3-naphthalen-1-ylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide

N-[5-(3-naphthalen-1-ylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 100760488) has the molecular formula C18H20N4O3S2 and a molecular weight of 404.52 g/mol. Its IUPAC name is N-[5-(3-naphthalen-1-ylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-(3-naphthalen-1-ylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID100760488
Molecular FormulaC18H20N4O3S2
Molecular Weight404.52 g/mol
Exact Mass404.10
IUPAC NameN-[5-(3-naphthalen-1-ylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(S(=O)(=O)NCCCc2cccc3ccccc23)s1
InChIInChI=1S/C18H20N4O3S2/c1-2-16(23)20-17-21-22-18(26-17)27(24,25)19-12-6-10-14-9-5-8-13-7-3-4-11-15(13)14/h3-5,7-9,11,19H,2,6,10,12H2,1H3,(H,20,21,23)
InChIKeyGBQJFIOSJRDKAJ-UHFFFAOYSA-N
XLogP2.95
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(ethylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 100748256
N-[5-[(2,6-dimethylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100735030
2-chloro-N-[5-[3-(2-ethoxyphenyl)propylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100605702
N-[5-[(2,6-difluorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100558951
N-[5-[2-[(4-methylphenyl)methylsulfanyl]ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100595328
4-methyl-N-[5-(3-phenylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100563510
N-[5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100515290
N-[5-[(2,4-dichlorophenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100568826
N-[5-[2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
CID 4313682
N-[5-[3-[(3S)-3-methylpiperidin-1-yl]propylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 125053761
N-[5-[[3-(trifluoromethyl)phenyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100546980
5-(naphthalen-1-ylmethylsulfonyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 47817437

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-naphthalen-1-ylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of N-[5-(3-naphthalen-1-ylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 100760488) is N-[5-(3-naphthalen-1-ylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-(3-naphthalen-1-ylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for N-[5-(3-naphthalen-1-ylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide is CCC(=O)Nc1nnc(S(=O)(=O)NCCCc2cccc3ccccc23)s1.
What is the InChIKey of N-[5-(3-naphthalen-1-ylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is GBQJFIOSJRDKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S2/c1-2-16(23)20-17-21-22-18(26-17)27(24,25)19-12-6-10-14-9-5-8-13-7-3-4-11-15(13)14/h3-5,7-9,11,19H,2,6,10,12H2,1H3,(H,20,21,23).
What are the key properties of N-[5-(3-naphthalen-1-ylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide?
N-[5-(3-naphthalen-1-ylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 404.52 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-naphthalen-1-ylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 100760488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).