N-(3,3-diphenylpropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C22H25N3O2S2 — CID 60561112

IUPACN-(3,3-diphenylpropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCC(C)Oc1nnc(SCC(=O)NCCC(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C22H25N3O2S2/c1-16(2)27-21-24-25-22(29-21)28-15-20(26)23-14-13-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3,(H,23,26)
InChIKeyXSEGMCRRXPTKTF-UHFFFAOYSA-N
MW427.60 g/mol
LogP4.76
Rot. Bonds10

About N-(3,3-diphenylpropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-(3,3-diphenylpropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 60561112) has the molecular formula C22H25N3O2S2 and a molecular weight of 427.60 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID60561112
Molecular FormulaC22H25N3O2S2
Molecular Weight427.60 g/mol
Exact Mass427.14
IUPAC NameN-(3,3-diphenylpropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCC(C)Oc1nnc(SCC(=O)NCCC(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C22H25N3O2S2/c1-16(2)27-21-24-25-22(29-21)28-15-20(26)23-14-13-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3,(H,23,26)
InChIKeyXSEGMCRRXPTKTF-UHFFFAOYSA-N
XLogP4.76
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.60
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,3-diphenylpropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide with MolForge

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Related Compounds

N-(2-phenylsulfanylphenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 55988510
N-(3,3-diphenylpropyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 8002458
N-[1-(4-fluorophenyl)ethyl]-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 55989818
N-(3-iodophenyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 55988505
N-(3,3-diphenylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7352411
methyl 2-[2-(3,3-diphenylpropylamino)-2-oxoethyl]sulfanylpropanoate
CID 78842695
2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide
CID 2585654
2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide
CID 97018728
N-(3-phenylpropyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2501953
2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methylbutyl)acetamide
CID 7820144
(3R)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 40629946
(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 8012205

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 60561112) is N-(3,3-diphenylpropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is CC(C)Oc1nnc(SCC(=O)NCCC(c2ccccc2)c2ccccc2)s1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is XSEGMCRRXPTKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S2/c1-16(2)27-21-24-25-22(29-21)28-15-20(26)23-14-13-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3,(H,23,26).
What are the key properties of N-(3,3-diphenylpropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(3,3-diphenylpropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 427.60 g/mol, XLogP of 4.76, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 60561112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).