5-tert-butyl-N-(3-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxamide

C13H16N4O3S2 — CID 25263014

IUPAC5-tert-butyl-N-(3-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)(C)c1nnc(C(=O)Nc2cccc(S(N)(=O)=O)c2)s1
InChIInChI=1S/C13H16N4O3S2/c1-13(2,3)12-17-16-11(21-12)10(18)15-8-5-4-6-9(7-8)22(14,19)20/h4-7H,1-3H3,(H,15,18)(H2,14,19,20)
InChIKeyPBRRTRPXGMMIPD-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.74
Rot. Bonds3

About 5-tert-butyl-N-(3-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxamide

5-tert-butyl-N-(3-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 25263014) has the molecular formula C13H16N4O3S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-tert-butyl-N-(3-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-(3-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID25263014
Molecular FormulaC13H16N4O3S2
Molecular Weight340.43 g/mol
Exact Mass340.07
IUPAC Name5-tert-butyl-N-(3-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)(C)c1nnc(C(=O)Nc2cccc(S(N)(=O)=O)c2)s1
InChIInChI=1S/C13H16N4O3S2/c1-13(2,3)12-17-16-11(21-12)10(18)15-8-5-4-6-9(7-8)22(14,19)20/h4-7H,1-3H3,(H,15,18)(H2,14,19,20)
InChIKeyPBRRTRPXGMMIPD-UHFFFAOYSA-N
XLogP1.74
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-2,2,3-trimethyl-N-(3-sulfamoylphenyl)butanamide
CID 65264374
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CID 61266531
4-methyl-N-(3-sulfamoylphenyl)-1,2-oxazole-5-carboxamide
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2-methyl-2-(methylamino)-N-(3-sulfamoylphenyl)propanamide
CID 62834489
3-[(3-sulfamoylbenzoyl)amino]benzoic acid
CID 834338
4-ethyl-N-(3-sulfamoylphenyl)thiadiazole-5-carboxamide
CID 60692504
4-acetamido-N-(3-sulfamoylphenyl)benzamide
CID 4067351
N-(3-sulfamoylphenyl)thiophene-2-carboxamide
CID 2812289
2-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide
CID 78950909
N-(3-sulfamoylphenyl)thiophene-3-carboxamide
CID 60656415
2,4-dibromo-N-(3-sulfamoylphenyl)benzamide
CID 103885203
3-methyl-1-phenyl-N-(3-sulfamoylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 9413201

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(3-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-(3-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxamide (CID 25263014) is 5-tert-butyl-N-(3-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-(3-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-(3-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxamide is CC(C)(C)c1nnc(C(=O)Nc2cccc(S(N)(=O)=O)c2)s1.
What is the InChIKey of 5-tert-butyl-N-(3-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is PBRRTRPXGMMIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S2/c1-13(2,3)12-17-16-11(21-12)10(18)15-8-5-4-6-9(7-8)22(14,19)20/h4-7H,1-3H3,(H,15,18)(H2,14,19,20).
What are the key properties of 5-tert-butyl-N-(3-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxamide?
5-tert-butyl-N-(3-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(3-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 25263014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).