(2R)-N-(3-sulfamoylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide

C11H12N4O3S3 — CID 8935752

IUPAC(2R)-N-(3-sulfamoylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESC[C@@H](Sc1nncs1)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H12N4O3S3/c1-7(20-11-15-13-6-19-11)10(16)14-8-3-2-4-9(5-8)21(12,17)18/h2-7H,1H3,(H,14,16)(H2,12,17,18)/t7-/m1/s1
InChIKeyAYHGSUVBQJISCE-SSDOTTSWSA-N
MW344.44 g/mol
LogP1.30
Rot. Bonds5

About (2R)-N-(3-sulfamoylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide

(2R)-N-(3-sulfamoylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (PubChem CID 8935752) has the molecular formula C11H12N4O3S3 and a molecular weight of 344.44 g/mol. Its IUPAC name is (2R)-N-(3-sulfamoylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound Name(2R)-N-(3-sulfamoylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
PubChem CID8935752
Molecular FormulaC11H12N4O3S3
Molecular Weight344.44 g/mol
Exact Mass344.01
IUPAC Name(2R)-N-(3-sulfamoylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESC[C@@H](Sc1nncs1)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H12N4O3S3/c1-7(20-11-15-13-6-19-11)10(16)14-8-3-2-4-9(5-8)21(12,17)18/h2-7H,1H3,(H,14,16)(H2,12,17,18)/t7-/m1/s1
InChIKeyAYHGSUVBQJISCE-SSDOTTSWSA-N
XLogP1.30
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-(4-fluorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide
CID 40741893
(2S)-N-(2,6-dimethylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 8935996
(2R)-2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide
CID 27069345
N-(3-sulfamoylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 55418686
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-sulfamoylphenyl)propanamide
CID 46620208
2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-sulfamoylphenyl)propanamide
CID 46626455
N-(2-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51141818
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide
CID 24500372
N-(2-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 46623230
2-methyl-N-[4-[2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]phenyl]propanamide
CID 17442157
(2S)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51956995
2-pyrazol-1-yl-N-(3-sulfamoylphenyl)propanamide
CID 61067736

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-sulfamoylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The IUPAC name of (2R)-N-(3-sulfamoylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (CID 8935752) is (2R)-N-(3-sulfamoylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for (2R)-N-(3-sulfamoylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The canonical SMILES for (2R)-N-(3-sulfamoylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is C[C@@H](Sc1nncs1)C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of (2R)-N-(3-sulfamoylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The InChIKey is AYHGSUVBQJISCE-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12N4O3S3/c1-7(20-11-15-13-6-19-11)10(16)14-8-3-2-4-9(5-8)21(12,17)18/h2-7H,1H3,(H,14,16)(H2,12,17,18)/t7-/m1/s1.
What are the key properties of (2R)-N-(3-sulfamoylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
(2R)-N-(3-sulfamoylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide has a molecular weight of 344.44 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-sulfamoylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 8935752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).