N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C14H16N4O3S3 — CID 2532393

IUPACN-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nncs1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C14H16N4O3S3/c19-13(9-22-14-17-15-10-23-14)16-11-3-5-12(6-4-11)24(20,21)18-7-1-2-8-18/h3-6,10H,1-2,7-9H2,(H,16,19)
InChIKeyOFRUCLSJUZYKJC-UHFFFAOYSA-N
MW384.51 g/mol
LogP2.05
Rot. Bonds6

About N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 2532393) has the molecular formula C14H16N4O3S3 and a molecular weight of 384.51 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID2532393
Molecular FormulaC14H16N4O3S3
Molecular Weight384.51 g/mol
Exact Mass384.04
IUPAC NameN-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nncs1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C14H16N4O3S3/c19-13(9-22-14-17-15-10-23-14)16-11-3-5-12(6-4-11)24(20,21)18-7-1-2-8-18/h3-6,10H,1-2,7-9H2,(H,16,19)
InChIKeyOFRUCLSJUZYKJC-UHFFFAOYSA-N
XLogP2.05
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(1,3-thiazolidin-3-ylsulfonyl)phenyl]acetamide
CID 852123
N-[4-(Azepane-1-sulfonyl)-phenyl]-2-(5-methyl-[1,3,4]thiadiazol-2-ylsulfanyl)-propionamide
CID 646359
2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 4965392
2-((1,3,4-Thiadiazol-2-yl)thio)-N-(5-(N,N-dimethylsulfamoyl)-2-methylphenyl)acetamide
CID 9114980
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 16315480
[2-[4-[Methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 8580922
2-(5-Methyl-[1,3,4]thiadiazol-2-ylsulfanyl)-N-[4-(piperidine-1-sulfonyl)-phenyl]-propionamide
CID 646953
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 2507451
N-(4-Cyclohexylsulfamoyl-phenyl)-2-(5-methyl-[1,3,4]thiadiazol-2-ylsulfanyl)-propionamide
CID 3221364
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 4881259
N-(4-(N-1,3,4-thiadiazol-2-ylsulfamoyl)phenyl)acetamide
CID 694845
N-[4-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 21081461

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 2532393) is N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is O=C(CSc1nncs1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is OFRUCLSJUZYKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S3/c19-13(9-22-14-17-15-10-23-14)16-11-3-5-12(6-4-11)24(20,21)18-7-1-2-8-18/h3-6,10H,1-2,7-9H2,(H,16,19).
What are the key properties of N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 384.51 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 2532393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).