(2R)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide

C18H19N5O4S3 — CID 29201822

IUPAC(2R)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide
SMILESCOc1ccccc1Nc1nnc(S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)s1
InChIInChI=1S/C18H19N5O4S3/c1-11(16(24)20-12-7-9-13(10-8-12)30(19,25)26)28-18-23-22-17(29-18)21-14-5-3-4-6-15(14)27-2/h3-11H,1-2H3,(H,20,24)(H,21,22)(H2,19,25,26)/t11-/m1/s1
InChIKeyRCUHZISFNIYTKG-LLVKDONJSA-N
MW465.58 g/mol
LogP3.06
Rot. Bonds8

About (2R)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide

(2R)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide (PubChem CID 29201822) has the molecular formula C18H19N5O4S3 and a molecular weight of 465.58 g/mol. Its IUPAC name is (2R)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide
PubChem CID29201822
Molecular FormulaC18H19N5O4S3
Molecular Weight465.58 g/mol
Exact Mass465.06
IUPAC Name(2R)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide
SMILESCOc1ccccc1Nc1nnc(S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)s1
InChIInChI=1S/C18H19N5O4S3/c1-11(16(24)20-12-7-9-13(10-8-12)30(19,25)26)28-18-23-22-17(29-18)21-14-5-3-4-6-15(14)27-2/h3-11H,1-2H3,(H,20,24)(H,21,22)(H2,19,25,26)/t11-/m1/s1
InChIKeyRCUHZISFNIYTKG-LLVKDONJSA-N
XLogP3.06
TPSA136.30 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

(2S)-N-(4-acetylphenyl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
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(2R)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-quinolin-5-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of (2R)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide (CID 29201822) is (2R)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for (2R)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide is COc1ccccc1Nc1nnc(S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)s1.
What is the InChIKey of (2R)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is RCUHZISFNIYTKG-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19N5O4S3/c1-11(16(24)20-12-7-9-13(10-8-12)30(19,25)26)28-18-23-22-17(29-18)21-14-5-3-4-6-15(14)27-2/h3-11H,1-2H3,(H,20,24)(H,21,22)(H2,19,25,26)/t11-/m1/s1.
What are the key properties of (2R)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide?
(2R)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 465.58 g/mol, XLogP of 3.06, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 29201822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).