N-ethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-propylbenzenesulfonamide

C19H21N3O2S2 — CID 173218621

IUPACN-ethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N(CC)c2nc(-c3ccccc3)ns2)cc1
InChIInChI=1S/C19H21N3O2S2/c1-3-8-15-11-13-17(14-12-15)26(23,24)22(4-2)19-20-18(21-25-19)16-9-6-5-7-10-16/h5-7,9-14H,3-4,8H2,1-2H3
InChIKeyOGOQECTYIGSKAG-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.37
Rot. Bonds7

About N-ethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-propylbenzenesulfonamide

N-ethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-propylbenzenesulfonamide (PubChem CID 173218621) has the molecular formula C19H21N3O2S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-ethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-propylbenzenesulfonamide
PubChem CID173218621
Molecular FormulaC19H21N3O2S2
Molecular Weight387.53 g/mol
Exact Mass387.11
IUPAC NameN-ethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N(CC)c2nc(-c3ccccc3)ns2)cc1
InChIInChI=1S/C19H21N3O2S2/c1-3-8-15-11-13-17(14-12-15)26(23,24)22(4-2)19-20-18(21-25-19)16-9-6-5-7-10-16/h5-7,9-14H,3-4,8H2,1-2H3
InChIKeyOGOQECTYIGSKAG-UHFFFAOYSA-N
XLogP4.37
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-propylbenzenesulfonamide?
The IUPAC name of N-ethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-propylbenzenesulfonamide (CID 173218621) is N-ethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-propylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-propylbenzenesulfonamide?
The canonical SMILES for N-ethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)N(CC)c2nc(-c3ccccc3)ns2)cc1.
What is the InChIKey of N-ethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-propylbenzenesulfonamide?
The InChIKey is OGOQECTYIGSKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S2/c1-3-8-15-11-13-17(14-12-15)26(23,24)22(4-2)19-20-18(21-25-19)16-9-6-5-7-10-16/h5-7,9-14H,3-4,8H2,1-2H3.
What are the key properties of N-ethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-propylbenzenesulfonamide?
N-ethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-propylbenzenesulfonamide has a molecular weight of 387.53 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-propylbenzenesulfonamide is sourced from PubChem (CID 173218621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).