3-(benzenesulfonamido)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide

C16H22N4O3S2 — CID 17225962

IUPAC3-(benzenesulfonamido)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCCCc1nnc(NC(=O)CCNS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C16H22N4O3S2/c1-2-3-5-10-15-19-20-16(24-15)18-14(21)11-12-17-25(22,23)13-8-6-4-7-9-13/h4,6-9,17H,2-3,5,10-12H2,1H3,(H,18,20,21)
InChIKeyMDZHEYMUWDBWKB-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.58
Rot. Bonds10

About 3-(benzenesulfonamido)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide

3-(benzenesulfonamido)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 17225962) has the molecular formula C16H22N4O3S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID17225962
Molecular FormulaC16H22N4O3S2
Molecular Weight382.51 g/mol
Exact Mass382.11
IUPAC Name3-(benzenesulfonamido)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCCCc1nnc(NC(=O)CCNS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C16H22N4O3S2/c1-2-3-5-10-15-19-20-16(24-15)18-14(21)11-12-17-25(22,23)13-8-6-4-7-9-13/h4,6-9,17H,2-3,5,10-12H2,1H3,(H,18,20,21)
InChIKeyMDZHEYMUWDBWKB-UHFFFAOYSA-N
XLogP2.58
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(benzenesulfonamido)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 17225954
3-[(4-nitrophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 17193013
3-(butylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 17226832
3-(benzenesulfonamido)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 17225930
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-phenoxypropanamide
CID 35865392
N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 17321419
3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2230030
3-(benzenesulfonamido)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 4250604
2-phenyl-N-[5-[5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982401
3-bromo-N-[2-[5-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 17193848

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide (CID 17225962) is 3-(benzenesulfonamido)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide is CCCCCc1nnc(NC(=O)CCNS(=O)(=O)c2ccccc2)s1.
What is the InChIKey of 3-(benzenesulfonamido)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is MDZHEYMUWDBWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S2/c1-2-3-5-10-15-19-20-16(24-15)18-14(21)11-12-17-25(22,23)13-8-6-4-7-9-13/h4,6-9,17H,2-3,5,10-12H2,1H3,(H,18,20,21).
What are the key properties of 3-(benzenesulfonamido)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide?
3-(benzenesulfonamido)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 382.51 g/mol, XLogP of 2.58, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 17225962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).