2-[(5-benzamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide

C21H17N5O5S2 — CID 100549501

IUPAC2-[(5-benzamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)s1)c1ccccc1
InChIInChI=1S/C21H17N5O5S2/c27-18(14-7-2-1-3-8-14)23-20-24-25-21(32-20)33(29,30)26-17-11-5-4-10-16(17)19(28)22-13-15-9-6-12-31-15/h1-12,26H,13H2,(H,22,28)(H,23,24,27)
InChIKeyDFYGPIFBHNRGFW-UHFFFAOYSA-N
MW483.53 g/mol
LogP3.11
Rot. Bonds8

About 2-[(5-benzamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide

2-[(5-benzamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 100549501) has the molecular formula C21H17N5O5S2 and a molecular weight of 483.53 g/mol. Its IUPAC name is 2-[(5-benzamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(5-benzamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide
PubChem CID100549501
Molecular FormulaC21H17N5O5S2
Molecular Weight483.53 g/mol
Exact Mass483.07
IUPAC Name2-[(5-benzamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)s1)c1ccccc1
InChIInChI=1S/C21H17N5O5S2/c27-18(14-7-2-1-3-8-14)23-20-24-25-21(32-20)33(29,30)26-17-11-5-4-10-16(17)19(28)22-13-15-9-6-12-31-15/h1-12,26H,13H2,(H,22,28)(H,23,24,27)
InChIKeyDFYGPIFBHNRGFW-UHFFFAOYSA-N
XLogP3.11
TPSA143.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 8603467
N-(furan-2-ylmethyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 989147
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1112090
2-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34647496
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922685
N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)sulfonylamino]benzamide
CID 51170390
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133184310
methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178254
dimethyl 5-[[2-(furan-2-ylmethylcarbamoyl)phenyl]sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
CID 2099861
N-[5-[[2-(3-methoxypropylcarbamoyl)phenyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 100535795
4-chloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4234401
N-butan-2-yl-2-[[5-[(3-methylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfonylamino]benzamide
CID 133262073

Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[(5-benzamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide (CID 100549501) is 2-[(5-benzamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[(5-benzamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[(5-benzamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide is O=C(Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)s1)c1ccccc1.
What is the InChIKey of 2-[(5-benzamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is DFYGPIFBHNRGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O5S2/c27-18(14-7-2-1-3-8-14)23-20-24-25-21(32-20)33(29,30)26-17-11-5-4-10-16(17)19(28)22-13-15-9-6-12-31-15/h1-12,26H,13H2,(H,22,28)(H,23,24,27).
What are the key properties of 2-[(5-benzamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide?
2-[(5-benzamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 483.53 g/mol, XLogP of 3.11, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 100549501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).