2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]butanamide

C19H26N4O3S3 — CID 25034833

IUPAC2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]butanamide
SMILESCCC(SC1CCCCC1)C(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C19H26N4O3S3/c1-3-17(28-15-7-5-4-6-8-15)18(24)20-14-9-11-16(12-10-14)29(25,26)23-19-22-21-13(2)27-19/h9-12,15,17H,3-8H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyHZUDLMOONVKFOZ-UHFFFAOYSA-N
MW454.64 g/mol
LogP4.43
Rot. Bonds8

About 2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]butanamide

2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]butanamide (PubChem CID 25034833) has the molecular formula C19H26N4O3S3 and a molecular weight of 454.64 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]butanamide.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]butanamide
PubChem CID25034833
Molecular FormulaC19H26N4O3S3
Molecular Weight454.64 g/mol
Exact Mass454.12
IUPAC Name2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]butanamide
SMILESCCC(SC1CCCCC1)C(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C19H26N4O3S3/c1-3-17(28-15-7-5-4-6-8-15)18(24)20-14-9-11-16(12-10-14)29(25,26)23-19-22-21-13(2)27-19/h9-12,15,17H,3-8H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyHZUDLMOONVKFOZ-UHFFFAOYSA-N
XLogP4.43
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.64
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]butanamide
CID 25036432
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]propanamide
CID 25043272
1-methyl-3-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]thiourea
CID 25048375
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]propanamide
CID 25036410
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304715
2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]propanamide
CID 25045832
3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]propanamide
CID 25044463
[1-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] 3H-benzimidazole-5-carboxylate
CID 25049591
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 25048882
[1-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]anilino]-1-oxobutan-2-yl] 4-(1H-imidazol-2-yl)benzoate
CID 25037145
2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]propanamide
CID 25049200
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]propanamide
CID 25035613

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]butanamide?
The IUPAC name of 2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]butanamide (CID 25034833) is 2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]butanamide.
What is the SMILES notation for 2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]butanamide?
The canonical SMILES for 2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]butanamide is CCC(SC1CCCCC1)C(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1.
What is the InChIKey of 2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]butanamide?
The InChIKey is HZUDLMOONVKFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S3/c1-3-17(28-15-7-5-4-6-8-15)18(24)20-14-9-11-16(12-10-14)29(25,26)23-19-22-21-13(2)27-19/h9-12,15,17H,3-8H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]butanamide?
2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]butanamide has a molecular weight of 454.64 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]butanamide is sourced from PubChem (CID 25034833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).