N-[3-oxo-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propyl]-2-propylpentanamide

C13H23N5O4S2 — CID 11760610

IUPACN-[3-oxo-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1
InChIInChI=1S/C13H23N5O4S2/c1-3-5-9(6-4-2)11(20)15-8-7-10(19)16-12-17-18-13(23-12)24(14,21)22/h9H,3-8H2,1-2H3,(H,15,20)(H2,14,21,22)(H,16,17,19)
InChIKeyNYIIKXGFKHSRCY-UHFFFAOYSA-N
MW377.49 g/mol
LogP0.85
Rot. Bonds10

About N-[3-oxo-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propyl]-2-propylpentanamide

N-[3-oxo-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propyl]-2-propylpentanamide (PubChem CID 11760610) has the molecular formula C13H23N5O4S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[3-oxo-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[3-oxo-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propyl]-2-propylpentanamide
PubChem CID11760610
Molecular FormulaC13H23N5O4S2
Molecular Weight377.49 g/mol
Exact Mass377.12
IUPAC NameN-[3-oxo-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1
InChIInChI=1S/C13H23N5O4S2/c1-3-5-9(6-4-2)11(20)15-8-7-10(19)16-12-17-18-13(23-12)24(14,21)22/h9H,3-8H2,1-2H3,(H,15,20)(H2,14,21,22)(H,16,17,19)
InChIKeyNYIIKXGFKHSRCY-UHFFFAOYSA-N
XLogP0.85
TPSA144.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(dimethylsulfamoylamino)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
CID 101078048
3-chloro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
CID 54476371
N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfonylamino)propanamide
CID 10833817
4-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide
CID 10015713
3-[[2-[carbamimidoyl(methyl)amino]acetyl]amino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
CID 10594934
ethyl 6-oxo-6-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]hexanoate
CID 3083283
methyl N-[8-oxo-8-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]octyl]carbamate
CID 178065843
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[3-oxo-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propyl]nonanamide
CID 10580554
[2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]azanium bromide
CID 15041395
2,2-diamino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
CID 130452184
1-(2-chloroethyl)-3-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)urea
CID 3734828
2-amino-N-[2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]acetamide
CID 10827620

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propyl]-2-propylpentanamide?
The IUPAC name of N-[3-oxo-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propyl]-2-propylpentanamide (CID 11760610) is N-[3-oxo-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propyl]-2-propylpentanamide.
What is the SMILES notation for N-[3-oxo-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propyl]-2-propylpentanamide?
The canonical SMILES for N-[3-oxo-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propyl]-2-propylpentanamide is CCCC(CCC)C(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1.
What is the InChIKey of N-[3-oxo-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propyl]-2-propylpentanamide?
The InChIKey is NYIIKXGFKHSRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O4S2/c1-3-5-9(6-4-2)11(20)15-8-7-10(19)16-12-17-18-13(23-12)24(14,21)22/h9H,3-8H2,1-2H3,(H,15,20)(H2,14,21,22)(H,16,17,19).
What are the key properties of N-[3-oxo-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propyl]-2-propylpentanamide?
N-[3-oxo-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propyl]-2-propylpentanamide has a molecular weight of 377.49 g/mol, XLogP of 0.85, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propyl]-2-propylpentanamide is sourced from PubChem (CID 11760610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).