2-[[5-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide

C24H30N6O6S5 — CID 4243618

IUPAC2-[[5-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nnc(SCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)s1
InChIInChI=1S/C24H30N6O6S5/c1-15-7-9-17(40(33,34)29(3)4)11-19(15)25-21(31)13-37-23-27-28-24(39-23)38-14-22(32)26-20-12-18(10-8-16(20)2)41(35,36)30(5)6/h7-12H,13-14H2,1-6H3,(H,25,31)(H,26,32)
InChIKeyZEHWSXODXANPBJ-UHFFFAOYSA-N
MW658.87 g/mol
LogP3.12
Rot. Bonds12

About 2-[[5-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide

2-[[5-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide (PubChem CID 4243618) has the molecular formula C24H30N6O6S5 and a molecular weight of 658.87 g/mol. Its IUPAC name is 2-[[5-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-[[5-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
PubChem CID4243618
Molecular FormulaC24H30N6O6S5
Molecular Weight658.87 g/mol
Exact Mass658.08
IUPAC Name2-[[5-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nnc(SCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)s1
InChIInChI=1S/C24H30N6O6S5/c1-15-7-9-17(40(33,34)29(3)4)11-19(15)25-21(31)13-37-23-27-28-24(39-23)38-14-22(32)26-20-12-18(10-8-16(20)2)41(35,36)30(5)6/h7-12H,13-14H2,1-6H3,(H,25,31)(H,26,32)
InChIKeyZEHWSXODXANPBJ-UHFFFAOYSA-N
XLogP3.12
TPSA158.74 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.87
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-[[5-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide with MolForge

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 8899935
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
CID 39951741
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 7785128
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide
CID 3872656
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 16541797
N-(2,5-dimethylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 845504
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24591635
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-phenylacetamide
CID 7689071
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 16524191
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135443878
N-(5-chloro-2-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 891795
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(prop-2-enylamino)acetamide
CID 78908238

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide?
The IUPAC name of 2-[[5-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide (CID 4243618) is 2-[[5-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-[[5-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide?
The canonical SMILES for 2-[[5-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nnc(SCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)s1.
What is the InChIKey of 2-[[5-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide?
The InChIKey is ZEHWSXODXANPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O6S5/c1-15-7-9-17(40(33,34)29(3)4)11-19(15)25-21(31)13-37-23-27-28-24(39-23)38-14-22(32)26-20-12-18(10-8-16(20)2)41(35,36)30(5)6/h7-12H,13-14H2,1-6H3,(H,25,31)(H,26,32).
What are the key properties of 2-[[5-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide?
2-[[5-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide has a molecular weight of 658.87 g/mol, XLogP of 3.12, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide is sourced from PubChem (CID 4243618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).