N-(2-methyl-1-phenylpropyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C18H24N4O2S2 — CID 47945201

IUPACN-(2-methyl-1-phenylpropyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCC(C)C(NC(=O)CSc1nnc(N2CCOCC2)s1)c1ccccc1
InChIInChI=1S/C18H24N4O2S2/c1-13(2)16(14-6-4-3-5-7-14)19-15(23)12-25-18-21-20-17(26-18)22-8-10-24-11-9-22/h3-7,13,16H,8-12H2,1-2H3,(H,19,23)
InChIKeySUNWDSIMSRSWFX-UHFFFAOYSA-N
MW392.55 g/mol
LogP2.98
Rot. Bonds7

About N-(2-methyl-1-phenylpropyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-(2-methyl-1-phenylpropyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 47945201) has the molecular formula C18H24N4O2S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-(2-methyl-1-phenylpropyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methyl-1-phenylpropyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID47945201
Molecular FormulaC18H24N4O2S2
Molecular Weight392.55 g/mol
Exact Mass392.13
IUPAC NameN-(2-methyl-1-phenylpropyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCC(C)C(NC(=O)CSc1nnc(N2CCOCC2)s1)c1ccccc1
InChIInChI=1S/C18H24N4O2S2/c1-13(2)16(14-6-4-3-5-7-14)19-15(23)12-25-18-21-20-17(26-18)22-8-10-24-11-9-22/h3-7,13,16H,8-12H2,1-2H3,(H,19,23)
InChIKeySUNWDSIMSRSWFX-UHFFFAOYSA-N
XLogP2.98
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methyl-4-oxopentan-3-yl)-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 86827419
N-ethyl-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 47944871
methyl 3-[[2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate
CID 47945221
N-[(1S)-2-methyl-1-phenylpropyl]morpholine-4-carboxamide
CID 34672149
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 47944695
2-[[5-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
CID 30865258
N-(4-chlorophenyl)-2-[[5-(4-phenylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 30863368
2-[[5-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4149083
2-[[5-[4-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
CID 121070091
N-methyl-2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 47365036
2-[[5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 30865086
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 46667554

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-phenylpropyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-methyl-1-phenylpropyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 47945201) is N-(2-methyl-1-phenylpropyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-methyl-1-phenylpropyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-methyl-1-phenylpropyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is CC(C)C(NC(=O)CSc1nnc(N2CCOCC2)s1)c1ccccc1.
What is the InChIKey of N-(2-methyl-1-phenylpropyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is SUNWDSIMSRSWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S2/c1-13(2)16(14-6-4-3-5-7-14)19-15(23)12-25-18-21-20-17(26-18)22-8-10-24-11-9-22/h3-7,13,16H,8-12H2,1-2H3,(H,19,23).
What are the key properties of N-(2-methyl-1-phenylpropyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(2-methyl-1-phenylpropyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 392.55 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-phenylpropyl)-2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 47945201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).