N-[2-[5-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]methanesulfonamide

C14H20N4O4S4 — CID 55448454

IUPACN-[2-[5-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]methanesulfonamide
SMILESCOCCNc1nnc(SCC(=O)c2ccc(CCNS(C)(=O)=O)s2)s1
InChIInChI=1S/C14H20N4O4S4/c1-22-8-7-15-13-17-18-14(25-13)23-9-11(19)12-4-3-10(24-12)5-6-16-26(2,20)21/h3-4,16H,5-9H2,1-2H3,(H,15,17)
InChIKeyFGVBZMWHUHSPEJ-UHFFFAOYSA-N
MW436.61 g/mol
LogP1.72
Rot. Bonds12

About N-[2-[5-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]methanesulfonamide

N-[2-[5-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]methanesulfonamide (PubChem CID 55448454) has the molecular formula C14H20N4O4S4 and a molecular weight of 436.61 g/mol. Its IUPAC name is N-[2-[5-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]methanesulfonamide
PubChem CID55448454
Molecular FormulaC14H20N4O4S4
Molecular Weight436.61 g/mol
Exact Mass436.04
IUPAC NameN-[2-[5-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]methanesulfonamide
SMILESCOCCNc1nnc(SCC(=O)c2ccc(CCNS(C)(=O)=O)s2)s1
InChIInChI=1S/C14H20N4O4S4/c1-22-8-7-15-13-17-18-14(25-13)23-9-11(19)12-4-3-10(24-12)5-6-16-26(2,20)21/h3-4,16H,5-9H2,1-2H3,(H,15,17)
InChIKeyFGVBZMWHUHSPEJ-UHFFFAOYSA-N
XLogP1.72
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.61
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 7965296
N-[2-[5-[2-(4-propan-2-ylphenyl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 39044976
2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone
CID 4819732
N-[2-[5-[2-(1-cyclopentyltetrazol-5-yl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 24527920
N-[2-[5-[2-(2,4-dimethylphenyl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 27352472
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 7965216
2-[[5-[3-(methanesulfonamido)propylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 106339455
N-(4-acetylphenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7969830
1-(5-ethylthiophen-2-yl)-2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 24519663
1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 43028741
N-[2-(4-fluorophenyl)ethyl]-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 4819245
N-(3,4-dimethylphenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7969674

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[5-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]methanesulfonamide (CID 55448454) is N-[2-[5-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[5-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]methanesulfonamide is COCCNc1nnc(SCC(=O)c2ccc(CCNS(C)(=O)=O)s2)s1.
What is the InChIKey of N-[2-[5-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]methanesulfonamide?
The InChIKey is FGVBZMWHUHSPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4S4/c1-22-8-7-15-13-17-18-14(25-13)23-9-11(19)12-4-3-10(24-12)5-6-16-26(2,20)21/h3-4,16H,5-9H2,1-2H3,(H,15,17).
What are the key properties of N-[2-[5-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]methanesulfonamide?
N-[2-[5-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]methanesulfonamide has a molecular weight of 436.61 g/mol, XLogP of 1.72, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]thiophen-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 55448454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).