N-(5-butan-2-ylsulfonyl-1,3,4-thiadiazol-2-yl)-3-cyclopentylpropanamide

C14H23N3O3S2 — CID 175027470

IUPACN-(5-butan-2-ylsulfonyl-1,3,4-thiadiazol-2-yl)-3-cyclopentylpropanamide
SMILESCCC(C)S(=O)(=O)c1nnc(NC(=O)CCC2CCCC2)s1
InChIInChI=1S/C14H23N3O3S2/c1-3-10(2)22(19,20)14-17-16-13(21-14)15-12(18)9-8-11-6-4-5-7-11/h10-11H,3-9H2,1-2H3,(H,15,16,18)
InChIKeyZISXQEYSOYGMTN-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.02
Rot. Bonds7

About N-(5-butan-2-ylsulfonyl-1,3,4-thiadiazol-2-yl)-3-cyclopentylpropanamide

N-(5-butan-2-ylsulfonyl-1,3,4-thiadiazol-2-yl)-3-cyclopentylpropanamide (PubChem CID 175027470) has the molecular formula C14H23N3O3S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-(5-butan-2-ylsulfonyl-1,3,4-thiadiazol-2-yl)-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-(5-butan-2-ylsulfonyl-1,3,4-thiadiazol-2-yl)-3-cyclopentylpropanamide
PubChem CID175027470
Molecular FormulaC14H23N3O3S2
Molecular Weight345.49 g/mol
Exact Mass345.12
IUPAC NameN-(5-butan-2-ylsulfonyl-1,3,4-thiadiazol-2-yl)-3-cyclopentylpropanamide
SMILESCCC(C)S(=O)(=O)c1nnc(NC(=O)CCC2CCCC2)s1
InChIInChI=1S/C14H23N3O3S2/c1-3-10(2)22(19,20)14-17-16-13(21-14)15-12(18)9-8-11-6-4-5-7-11/h10-11H,3-9H2,1-2H3,(H,15,16,18)
InChIKeyZISXQEYSOYGMTN-UHFFFAOYSA-N
XLogP3.02
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-cyclopentyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 52569880
N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 100566599
2-cyclopentyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 47120464
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide
CID 684814
3-cyclohexyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide
CID 1222303
3-cyclopentyl-N-(5-fluoro-1,3-thiazol-2-yl)propanamide
CID 87418060
3-cyclopentyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]propanamide
CID 136546763
N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100566485
3-cyclopentyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 4130975
N-(4-acetyl-1,3-thiazol-2-yl)-3-cyclohexylpropanamide
CID 24634046
3-cyclohexyl-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide
CID 90543548
3-cyclohexyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 3626009

Frequently Asked Questions

What is the IUPAC name of N-(5-butan-2-ylsulfonyl-1,3,4-thiadiazol-2-yl)-3-cyclopentylpropanamide?
The IUPAC name of N-(5-butan-2-ylsulfonyl-1,3,4-thiadiazol-2-yl)-3-cyclopentylpropanamide (CID 175027470) is N-(5-butan-2-ylsulfonyl-1,3,4-thiadiazol-2-yl)-3-cyclopentylpropanamide.
What is the SMILES notation for N-(5-butan-2-ylsulfonyl-1,3,4-thiadiazol-2-yl)-3-cyclopentylpropanamide?
The canonical SMILES for N-(5-butan-2-ylsulfonyl-1,3,4-thiadiazol-2-yl)-3-cyclopentylpropanamide is CCC(C)S(=O)(=O)c1nnc(NC(=O)CCC2CCCC2)s1.
What is the InChIKey of N-(5-butan-2-ylsulfonyl-1,3,4-thiadiazol-2-yl)-3-cyclopentylpropanamide?
The InChIKey is ZISXQEYSOYGMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S2/c1-3-10(2)22(19,20)14-17-16-13(21-14)15-12(18)9-8-11-6-4-5-7-11/h10-11H,3-9H2,1-2H3,(H,15,16,18).
What are the key properties of N-(5-butan-2-ylsulfonyl-1,3,4-thiadiazol-2-yl)-3-cyclopentylpropanamide?
N-(5-butan-2-ylsulfonyl-1,3,4-thiadiazol-2-yl)-3-cyclopentylpropanamide has a molecular weight of 345.49 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butan-2-ylsulfonyl-1,3,4-thiadiazol-2-yl)-3-cyclopentylpropanamide is sourced from PubChem (CID 175027470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).