N-[2-(4-ethoxyphenoxy)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

C18H26N4O3S2 — CID 30932888

IUPACN-[2-(4-ethoxyphenoxy)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCCOc1ccc(OCCNC(=O)CSc2nnc(NCC(C)C)s2)cc1
InChIInChI=1S/C18H26N4O3S2/c1-4-24-14-5-7-15(8-6-14)25-10-9-19-16(23)12-26-18-22-21-17(27-18)20-11-13(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyVFFALMXVZVOTCU-UHFFFAOYSA-N
MW410.57 g/mol
LogP3.29
Rot. Bonds12

About N-[2-(4-ethoxyphenoxy)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

N-[2-(4-ethoxyphenoxy)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 30932888) has the molecular formula C18H26N4O3S2 and a molecular weight of 410.57 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID30932888
Molecular FormulaC18H26N4O3S2
Molecular Weight410.57 g/mol
Exact Mass410.14
IUPAC NameN-[2-(4-ethoxyphenoxy)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCCOc1ccc(OCCNC(=O)CSc2nnc(NCC(C)C)s2)cc1
InChIInChI=1S/C18H26N4O3S2/c1-4-24-14-5-7-15(8-6-14)25-10-9-19-16(23)12-26-18-22-21-17(27-18)20-11-13(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyVFFALMXVZVOTCU-UHFFFAOYSA-N
XLogP3.29
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 27987886
N-[2-(4-tert-butylphenoxy)ethyl]-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 9341593
N-(cyclopropylmethyl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 35164965
2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
CID 9379650
N-acetyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9379661
2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide
CID 16500089
2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 40739118
2-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-phenoxyethyl)acetamide
CID 24520693
4-ethoxy-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100763253
N-[2-(3-methylphenoxy)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 51184240
2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 7385368
N-[(3,4-dimethylphenyl)carbamoyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9475840

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 30932888) is N-[2-(4-ethoxyphenoxy)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CCOc1ccc(OCCNC(=O)CSc2nnc(NCC(C)C)s2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is VFFALMXVZVOTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S2/c1-4-24-14-5-7-15(8-6-14)25-10-9-19-16(23)12-26-18-22-21-17(27-18)20-11-13(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,19,23)(H,20,21).
What are the key properties of N-[2-(4-ethoxyphenoxy)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-[2-(4-ethoxyphenoxy)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 410.57 g/mol, XLogP of 3.29, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)ethyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 30932888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).