2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide

C17H17N5O3S3 — CID 4965091

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2nnc(N)s2)c1
InChIInChI=1S/C17H17N5O3S3/c1-22(13-7-3-2-4-8-13)28(24,25)14-9-5-6-12(10-14)19-15(23)11-26-17-21-20-16(18)27-17/h2-10H,11H2,1H3,(H2,18,20)(H,19,23)
InChIKeyYILIWXWIPSLIPS-UHFFFAOYSA-N
MW435.56 g/mol
LogP2.68
Rot. Bonds7

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide (PubChem CID 4965091) has the molecular formula C17H17N5O3S3 and a molecular weight of 435.56 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
PubChem CID4965091
Molecular FormulaC17H17N5O3S3
Molecular Weight435.56 g/mol
Exact Mass435.05
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2nnc(N)s2)c1
InChIInChI=1S/C17H17N5O3S3/c1-22(13-7-3-2-4-8-13)28(24,25)14-9-5-6-12(10-14)19-15(23)11-26-17-21-20-16(18)27-17/h2-10H,11H2,1H3,(H2,18,20)(H,19,23)
InChIKeyYILIWXWIPSLIPS-UHFFFAOYSA-N
XLogP2.68
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.56
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-(4-Acetamido-3-fluorobenzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide
CID 11047521
N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 395815
5-(4-Acetamido-3-iodobenzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide
CID 11103137
2-(1-methyltetrazol-5-yl)sulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 3919132
N-(4-(((5-Methyl-1,3,4-thiadiazol-2-yl)amino)sulphonyl)phenyl)acetamide
CID 791566
2-({5-[(methylsulfonyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)-N,N-diphenylacetamide
CID 2270550
2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 3434869
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 3892108
2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide
CID 3946151
N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 4107072
2-[[5-[(3-Methylphenyl)amino]-1,3,4-thiadiazol-2-yl]thio]-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide
CID 4695527
2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 4965392

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide (CID 4965091) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide is CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2nnc(N)s2)c1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is YILIWXWIPSLIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S3/c1-22(13-7-3-2-4-8-13)28(24,25)14-9-5-6-12(10-14)19-15(23)11-26-17-21-20-16(18)27-17/h2-10H,11H2,1H3,(H2,18,20)(H,19,23).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 435.56 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4965091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).