N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C16H20N4O4S3 — CID 5114105

IUPACN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)s1
InChIInChI=1S/C16H20N4O4S3/c1-11-3-4-13(27(22,23)20-5-7-24-8-6-20)9-14(11)17-15(21)10-25-16-19-18-12(2)26-16/h3-4,9H,5-8,10H2,1-2H3,(H,17,21)
InChIKeyGYVUKNWZPVKFLA-UHFFFAOYSA-N
MW428.56 g/mol
LogP1.91
Rot. Bonds6

About N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 5114105) has the molecular formula C16H20N4O4S3 and a molecular weight of 428.56 g/mol. Its IUPAC name is N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID5114105
Molecular FormulaC16H20N4O4S3
Molecular Weight428.56 g/mol
Exact Mass428.06
IUPAC NameN-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)s1
InChIInChI=1S/C16H20N4O4S3/c1-11-3-4-13(27(22,23)20-5-7-24-8-6-20)9-14(11)17-15(21)10-25-16-19-18-12(2)26-16/h3-4,9H,5-8,10H2,1-2H3,(H,17,21)
InChIKeyGYVUKNWZPVKFLA-UHFFFAOYSA-N
XLogP1.91
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 3892108
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4399897
2-((1,3,4-Thiadiazol-2-yl)thio)-N-(5-(N,N-dimethylsulfamoyl)-2-methylphenyl)acetamide
CID 9114980
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 24687499
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 3980077
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16292101
2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(4-methyl-3-morpholinosulfonyl-phenyl)acetamide
CID 16524273
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4170377
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 16316751
2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4002980
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 4552134
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 7474592

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 5114105) is N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)s1.
What is the InChIKey of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is GYVUKNWZPVKFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S3/c1-11-3-4-13(27(22,23)20-5-7-24-8-6-20)9-14(11)17-15(21)10-25-16-19-18-12(2)26-16/h3-4,9H,5-8,10H2,1-2H3,(H,17,21).
What are the key properties of N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 428.56 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 5114105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).