N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide

C14H15FN4O3S2 — CID 24647554

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1nnc(C2CC2)s1
InChIInChI=1S/C14H15FN4O3S2/c15-10-3-5-11(6-4-10)24(21,22)16-8-7-12(20)17-14-19-18-13(23-14)9-1-2-9/h3-6,9,16H,1-2,7-8H2,(H,17,19,20)
InChIKeyWIUVKYHEOBIVNR-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.86
Rot. Bonds7

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide (PubChem CID 24647554) has the molecular formula C14H15FN4O3S2 and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
PubChem CID24647554
Molecular FormulaC14H15FN4O3S2
Molecular Weight370.43 g/mol
Exact Mass370.06
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1nnc(C2CC2)s1
InChIInChI=1S/C14H15FN4O3S2/c15-10-3-5-11(6-4-10)24(21,22)16-8-7-12(20)17-14-19-18-13(23-14)9-1-2-9/h3-6,9,16H,1-2,7-8H2,(H,17,19,20)
InChIKeyWIUVKYHEOBIVNR-UHFFFAOYSA-N
XLogP1.86
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-chlorophenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
CID 24647552
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
CID 24647555
3-[(4-fluorophenyl)sulfonylamino]-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 17192257
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide
CID 3590275
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24647572
3-[(4-fluorophenyl)sulfonylamino]-N-(2-oxothiolan-3-yl)propanamide
CID 17192160
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192248
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24564334
4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
CID 9441750
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide
CID 19229276
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 27297656

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide (CID 24647554) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide is O=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The InChIKey is WIUVKYHEOBIVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O3S2/c15-10-3-5-11(6-4-10)24(21,22)16-8-7-12(20)17-14-19-18-13(23-14)9-1-2-9/h3-6,9,16H,1-2,7-8H2,(H,17,19,20).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide has a molecular weight of 370.43 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 24647554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).