N-[5-(benzenesulfonamido)-1,3,4-thiadiazol-2-yl]-2-prop-2-enoxypropanamide

C14H16N4O4S2 — CID 51126323

IUPACN-[5-(benzenesulfonamido)-1,3,4-thiadiazol-2-yl]-2-prop-2-enoxypropanamide
SMILESC=CCOC(C)C(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C14H16N4O4S2/c1-3-9-22-10(2)12(19)15-13-16-17-14(23-13)18-24(20,21)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3,(H,17,18)(H,15,16,19)
InChIKeyHYGDEPYUEVSNTE-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.87
Rot. Bonds8

About N-[5-(benzenesulfonamido)-1,3,4-thiadiazol-2-yl]-2-prop-2-enoxypropanamide

N-[5-(benzenesulfonamido)-1,3,4-thiadiazol-2-yl]-2-prop-2-enoxypropanamide (PubChem CID 51126323) has the molecular formula C14H16N4O4S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[5-(benzenesulfonamido)-1,3,4-thiadiazol-2-yl]-2-prop-2-enoxypropanamide.

Molecular Properties

Compound NameN-[5-(benzenesulfonamido)-1,3,4-thiadiazol-2-yl]-2-prop-2-enoxypropanamide
PubChem CID51126323
Molecular FormulaC14H16N4O4S2
Molecular Weight368.44 g/mol
Exact Mass368.06
IUPAC NameN-[5-(benzenesulfonamido)-1,3,4-thiadiazol-2-yl]-2-prop-2-enoxypropanamide
SMILESC=CCOC(C)C(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C14H16N4O4S2/c1-3-9-22-10(2)12(19)15-13-16-17-14(23-13)18-24(20,21)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3,(H,17,18)(H,15,16,19)
InChIKeyHYGDEPYUEVSNTE-UHFFFAOYSA-N
XLogP1.87
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(benzenesulfonamido)-1,3,4-thiadiazol-2-yl]-2-prop-2-enoxypropanamide?
The IUPAC name of N-[5-(benzenesulfonamido)-1,3,4-thiadiazol-2-yl]-2-prop-2-enoxypropanamide (CID 51126323) is N-[5-(benzenesulfonamido)-1,3,4-thiadiazol-2-yl]-2-prop-2-enoxypropanamide.
What is the SMILES notation for N-[5-(benzenesulfonamido)-1,3,4-thiadiazol-2-yl]-2-prop-2-enoxypropanamide?
The canonical SMILES for N-[5-(benzenesulfonamido)-1,3,4-thiadiazol-2-yl]-2-prop-2-enoxypropanamide is C=CCOC(C)C(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1.
What is the InChIKey of N-[5-(benzenesulfonamido)-1,3,4-thiadiazol-2-yl]-2-prop-2-enoxypropanamide?
The InChIKey is HYGDEPYUEVSNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S2/c1-3-9-22-10(2)12(19)15-13-16-17-14(23-13)18-24(20,21)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3,(H,17,18)(H,15,16,19).
What are the key properties of N-[5-(benzenesulfonamido)-1,3,4-thiadiazol-2-yl]-2-prop-2-enoxypropanamide?
N-[5-(benzenesulfonamido)-1,3,4-thiadiazol-2-yl]-2-prop-2-enoxypropanamide has a molecular weight of 368.44 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzenesulfonamido)-1,3,4-thiadiazol-2-yl]-2-prop-2-enoxypropanamide is sourced from PubChem (CID 51126323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).