2-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide

C15H19N3O3S2 — CID 2227985

IUPAC2-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCc1nnc(NC(=O)CS(=O)(=O)Cc2ccccc2)s1
InChIInChI=1S/C15H19N3O3S2/c1-2-3-9-14-17-18-15(22-14)16-13(19)11-23(20,21)10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,16,18,19)
InChIKeyOCKRQGNPMALVPV-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.43
Rot. Bonds8

About 2-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide

2-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2227985) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2227985
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC Name2-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCCc1nnc(NC(=O)CS(=O)(=O)Cc2ccccc2)s1
InChIInChI=1S/C15H19N3O3S2/c1-2-3-9-14-17-18-15(22-14)16-13(19)11-23(20,21)10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,16,18,19)
InChIKeyOCKRQGNPMALVPV-UHFFFAOYSA-N
XLogP2.43
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide (CID 2227985) is 2-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide is CCCCc1nnc(NC(=O)CS(=O)(=O)Cc2ccccc2)s1.
What is the InChIKey of 2-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is OCKRQGNPMALVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c1-2-3-9-14-17-18-15(22-14)16-13(19)11-23(20,21)10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,16,18,19).
What are the key properties of 2-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide?
2-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2227985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).