N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide

C17H22N4O5S3 — CID 2125828

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCCSc1nnc(NC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C17H22N4O5S3/c1-3-27-17-20-19-16(28-17)18-15(22)11-12-4-5-13(25-2)14(10-12)29(23,24)21-6-8-26-9-7-21/h4-5,10H,3,6-9,11H2,1-2H3,(H,18,19,22)
InChIKeyUVCPMERHEORWIS-UHFFFAOYSA-N
MW458.59 g/mol
LogP1.86
Rot. Bonds8

About N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 2125828) has the molecular formula C17H22N4O5S3 and a molecular weight of 458.59 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID2125828
Molecular FormulaC17H22N4O5S3
Molecular Weight458.59 g/mol
Exact Mass458.08
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCCSc1nnc(NC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C17H22N4O5S3/c1-3-27-17-20-19-16(28-17)18-15(22)11-12-4-5-13(25-2)14(10-12)29(23,24)21-6-8-26-9-7-21/h4-5,10H,3,6-9,11H2,1-2H3,(H,18,19,22)
InChIKeyUVCPMERHEORWIS-UHFFFAOYSA-N
XLogP1.86
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.59
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)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

N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4314210
4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 5160520
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 4853205
4-Methoxy-3-(morpholine-4-sulfonyl)-N-[1,3,4]thiadiazol-2-yl-benzamide
CID 1087792
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 24978742
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4853268
N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 16314155
N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 16549515
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 56075730
(E)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2557891
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 3313597
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 3682175

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 2125828) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is CCSc1nnc(NC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is UVCPMERHEORWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5S3/c1-3-27-17-20-19-16(28-17)18-15(22)11-12-4-5-13(25-2)14(10-12)29(23,24)21-6-8-26-9-7-21/h4-5,10H,3,6-9,11H2,1-2H3,(H,18,19,22).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 458.59 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 2125828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).