N-(2-acetylphenyl)-2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C16H19N3O2S3 — CID 30360208

IUPACN-(2-acetylphenyl)-2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCCCCSc1nnc(SCC(=O)Nc2ccccc2C(C)=O)s1
InChIInChI=1S/C16H19N3O2S3/c1-3-4-9-22-15-18-19-16(24-15)23-10-14(21)17-13-8-6-5-7-12(13)11(2)20/h5-8H,3-4,9-10H2,1-2H3,(H,17,21)
InChIKeyDDBKNKRQKQBDNO-UHFFFAOYSA-N
MW381.55 g/mol
LogP4.36
Rot. Bonds9

About N-(2-acetylphenyl)-2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-(2-acetylphenyl)-2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 30360208) has the molecular formula C16H19N3O2S3 and a molecular weight of 381.55 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID30360208
Molecular FormulaC16H19N3O2S3
Molecular Weight381.55 g/mol
Exact Mass381.06
IUPAC NameN-(2-acetylphenyl)-2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCCCCSc1nnc(SCC(=O)Nc2ccccc2C(C)=O)s1
InChIInChI=1S/C16H19N3O2S3/c1-3-4-9-22-15-18-19-16(24-15)23-10-14(21)17-13-8-6-5-7-12(13)11(2)20/h5-8H,3-4,9-10H2,1-2H3,(H,17,21)
InChIKeyDDBKNKRQKQBDNO-UHFFFAOYSA-N
XLogP4.36
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 30359719
N-(2-acetylphenyl)-2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2608076
2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 55375714
2-[[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 7737880
N-(2-bromophenyl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 7737898
2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-5-nitrophenyl)acetamide
CID 30359775
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2661368
N-(2-chlorophenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 7820649
2-benzylsulfanyl-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 40827786
2-[[5-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3387678
2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-chlorophenyl)methyl]acetamide
CID 30340501
N-cyclopentyl-2-[[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
CID 7820287

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-acetylphenyl)-2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 30360208) is N-(2-acetylphenyl)-2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is CCCCSc1nnc(SCC(=O)Nc2ccccc2C(C)=O)s1.
What is the InChIKey of N-(2-acetylphenyl)-2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is DDBKNKRQKQBDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S3/c1-3-4-9-22-15-18-19-16(24-15)23-10-14(21)17-13-8-6-5-7-12(13)11(2)20/h5-8H,3-4,9-10H2,1-2H3,(H,17,21).
What are the key properties of N-(2-acetylphenyl)-2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(2-acetylphenyl)-2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 381.55 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 30360208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).