N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide

C9H11N5O5S4 — CID 101078071

IUPACN-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESNS(=O)(=O)c1nnc(NC(=O)CCNS(=O)(=O)c2cccs2)s1
InChIInChI=1S/C9H11N5O5S4/c10-22(16,17)9-14-13-8(21-9)12-6(15)3-4-11-23(18,19)7-2-1-5-20-7/h1-2,5,11H,3-4H2,(H2,10,16,17)(H,12,13,15)
InChIKeyJATKMQBYVRTFQN-UHFFFAOYSA-N
MW397.49 g/mol
LogP-0.45
Rot. Bonds7

About N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide

N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 101078071) has the molecular formula C9H11N5O5S4 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID101078071
Molecular FormulaC9H11N5O5S4
Molecular Weight397.49 g/mol
Exact Mass396.96
IUPAC NameN-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESNS(=O)(=O)c1nnc(NC(=O)CCNS(=O)(=O)c2cccs2)s1
InChIInChI=1S/C9H11N5O5S4/c10-22(16,17)9-14-13-8(21-9)12-6(15)3-4-11-23(18,19)7-2-1-5-20-7/h1-2,5,11H,3-4H2,(H2,10,16,17)(H,12,13,15)
InChIKeyJATKMQBYVRTFQN-UHFFFAOYSA-N
XLogP-0.45
TPSA161.21 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
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

N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfonylamino)propanamide
CID 10833817
3-(dimethylsulfamoylamino)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
CID 101078048
3-(thiophen-2-ylsulfonylamino)propanoate
CID 3420084
N-(4-chlorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 4614958
3-chloro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
CID 54476371
4-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide
CID 10015713
N-(1,3-dihydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 65315408
N-(2-chloroprop-2-enyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 115636829
[2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]azanium bromide
CID 15041395
methyl N-[8-oxo-8-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]octyl]carbamate
CID 178065843
N-[3-oxo-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propyl]-2-propylpentanamide
CID 11760610
N-cyclopentyloxy-3-(thiophen-2-ylsulfonylamino)propanamide
CID 83202524

Frequently Asked Questions

What is the IUPAC name of N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide (CID 101078071) is N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide is NS(=O)(=O)c1nnc(NC(=O)CCNS(=O)(=O)c2cccs2)s1.
What is the InChIKey of N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is JATKMQBYVRTFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O5S4/c10-22(16,17)9-14-13-8(21-9)12-6(15)3-4-11-23(18,19)7-2-1-5-20-7/h1-2,5,11H,3-4H2,(H2,10,16,17)(H,12,13,15).
What are the key properties of N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide?
N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 397.49 g/mol, XLogP of -0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 101078071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).