N-[5-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide

C18H18N4O3S3 — CID 100693356

IUPACN-[5-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
SMILESCSc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1NC(C)=O
InChIInChI=1S/C18H18N4O3S3/c1-11-4-6-13(7-5-11)17-20-21-18(27-17)22-28(24,25)14-8-9-16(26-3)15(10-14)19-12(2)23/h4-10H,1-3H3,(H,19,23)(H,21,22)
InChIKeyNOMXUDFNNQXJST-UHFFFAOYSA-N
MW434.57 g/mol
LogP3.99
Rot. Bonds6

About N-[5-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide

N-[5-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide (PubChem CID 100693356) has the molecular formula C18H18N4O3S3 and a molecular weight of 434.57 g/mol. Its IUPAC name is N-[5-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
PubChem CID100693356
Molecular FormulaC18H18N4O3S3
Molecular Weight434.57 g/mol
Exact Mass434.05
IUPAC NameN-[5-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
SMILESCSc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1NC(C)=O
InChIInChI=1S/C18H18N4O3S3/c1-11-4-6-13(7-5-11)17-20-21-18(27-17)22-28(24,25)14-8-9-16(26-3)15(10-14)19-12(2)23/h4-10H,1-3H3,(H,19,23)(H,21,22)
InChIKeyNOMXUDFNNQXJST-UHFFFAOYSA-N
XLogP3.99
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(2,5-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100578977
N-[2-methylsulfanyl-5-[(2-phenylphenyl)sulfamoyl]phenyl]acetamide
CID 100732898
N-[5-[(3-acetylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100686383
2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 45006642
N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100574955
4-ethoxy-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 100727124
4-methoxy-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 100759072
2,5-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 100714242
N-[5-(butylsulfamoyl)-2-methylsulfanylphenyl]acetamide
CID 100553378
N-[5-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100731046
N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100573030
3,4-dimethoxy-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 100759457

Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide?
The IUPAC name of N-[5-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide (CID 100693356) is N-[5-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide.
What is the SMILES notation for N-[5-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide?
The canonical SMILES for N-[5-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide is CSc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3)s2)cc1NC(C)=O.
What is the InChIKey of N-[5-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide?
The InChIKey is NOMXUDFNNQXJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S3/c1-11-4-6-13(7-5-11)17-20-21-18(27-17)22-28(24,25)14-8-9-16(26-3)15(10-14)19-12(2)23/h4-10H,1-3H3,(H,19,23)(H,21,22).
What are the key properties of N-[5-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide?
N-[5-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide has a molecular weight of 434.57 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]sulfamoyl]-2-methylsulfanylphenyl]acetamide is sourced from PubChem (CID 100693356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).