2-[(4-chlorophenyl)sulfonylamino]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide

C15H19ClN4O3S4 — CID 4664975

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide
SMILESCCSc1nnc(NC(=O)C(CCSC)NS(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C15H19ClN4O3S4/c1-3-25-15-19-18-14(26-15)17-13(21)12(8-9-24-2)20-27(22,23)11-6-4-10(16)5-7-11/h4-7,12,20H,3,8-9H2,1-2H3,(H,17,18,21)
InChIKeyKUISHFOXPIDQLI-UHFFFAOYSA-N
MW467.06 g/mol
LogP3.34
Rot. Bonds10

About 2-[(4-chlorophenyl)sulfonylamino]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide

2-[(4-chlorophenyl)sulfonylamino]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide (PubChem CID 4664975) has the molecular formula C15H19ClN4O3S4 and a molecular weight of 467.06 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide
PubChem CID4664975
Molecular FormulaC15H19ClN4O3S4
Molecular Weight467.06 g/mol
Exact Mass466.00
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide
SMILESCCSc1nnc(NC(=O)C(CCSC)NS(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C15H19ClN4O3S4/c1-3-25-15-19-18-14(26-15)17-13(21)12(8-9-24-2)20-27(22,23)11-6-4-10(16)5-7-11/h4-7,12,20H,3,8-9H2,1-2H3,(H,17,18,21)
InChIKeyKUISHFOXPIDQLI-UHFFFAOYSA-N
XLogP3.34
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.06
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze 2-[(4-chlorophenyl)sulfonylamino]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide 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-(benzenesulfonamido)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide
CID 55331060
(2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide
CID 25387218
2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 18474632
2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 5055809
3-[[2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]benzoic acid
CID 19032733
ethyl 2-[4-[[(2S)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]phenyl]acetate
CID 67706855
(2R)-2-[(4-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 41103941
4-chloro-N-[(2R)-1-[2-(3-methylbutanoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzenesulfonamide
CID 30388461
4-chloro-N-[1-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 15945077
propan-2-yl 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 3250513
(2S)-N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanamide
CID 2556147
2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 50740311

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide (CID 4664975) is 2-[(4-chlorophenyl)sulfonylamino]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide is CCSc1nnc(NC(=O)C(CCSC)NS(=O)(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide?
The InChIKey is KUISHFOXPIDQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O3S4/c1-3-25-15-19-18-14(26-15)17-13(21)12(8-9-24-2)20-27(22,23)11-6-4-10(16)5-7-11/h4-7,12,20H,3,8-9H2,1-2H3,(H,17,18,21).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide?
2-[(4-chlorophenyl)sulfonylamino]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide has a molecular weight of 467.06 g/mol, XLogP of 3.34, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 4664975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).