N-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]-2-propan-2-yloxybenzamide

C13H15N3O4S2 — CID 167805580

IUPACN-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]-2-propan-2-yloxybenzamide
SMILESCc1nnc(S(=O)(=O)NC(=O)c2ccccc2OC(C)C)s1
InChIInChI=1S/C13H15N3O4S2/c1-8(2)20-11-7-5-4-6-10(11)12(17)16-22(18,19)13-15-14-9(3)21-13/h4-8H,1-3H3,(H,16,17)
InChIKeyGOQUPIXSPBEQKY-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.75
Rot. Bonds5

About N-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]-2-propan-2-yloxybenzamide

N-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]-2-propan-2-yloxybenzamide (PubChem CID 167805580) has the molecular formula C13H15N3O4S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]-2-propan-2-yloxybenzamide
PubChem CID167805580
Molecular FormulaC13H15N3O4S2
Molecular Weight341.41 g/mol
Exact Mass341.05
IUPAC NameN-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]-2-propan-2-yloxybenzamide
SMILESCc1nnc(S(=O)(=O)NC(=O)c2ccccc2OC(C)C)s1
InChIInChI=1S/C13H15N3O4S2/c1-8(2)20-11-7-5-4-6-10(11)12(17)16-22(18,19)13-15-14-9(3)21-13/h4-8H,1-3H3,(H,16,17)
InChIKeyGOQUPIXSPBEQKY-UHFFFAOYSA-N
XLogP1.75
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]-2-propan-2-yloxybenzamide?
The IUPAC name of N-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]-2-propan-2-yloxybenzamide (CID 167805580) is N-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]-2-propan-2-yloxybenzamide?
The canonical SMILES for N-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]-2-propan-2-yloxybenzamide is Cc1nnc(S(=O)(=O)NC(=O)c2ccccc2OC(C)C)s1.
What is the InChIKey of N-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]-2-propan-2-yloxybenzamide?
The InChIKey is GOQUPIXSPBEQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S2/c1-8(2)20-11-7-5-4-6-10(11)12(17)16-22(18,19)13-15-14-9(3)21-13/h4-8H,1-3H3,(H,16,17).
What are the key properties of N-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]-2-propan-2-yloxybenzamide?
N-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]-2-propan-2-yloxybenzamide has a molecular weight of 341.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 167805580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).