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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Related Compounds

N-(5-cyano-2-methylphenyl)sulfonyl-2-propan-2-yloxybenzamide
CID 86953857
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
N-(4-acetamidophenyl)-2-propan-2-yloxybenzamide
CID 17045479
N-[(2R)-3-methylbutan-2-yl]-2-propan-2-yloxybenzamide
CID 100570232
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide
CID 167979514
N-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide
CID 92666015
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 28642699
N-(3-chloro-4-methylphenyl)-2-propan-2-yloxybenzamide
CID 17045551
N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 17197512
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
2-propan-2-yloxybenzoyl chloride
CID 15921914
ethyl 4-[(2-propan-2-yloxybenzoyl)amino]benzoate
CID 17045515

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).