N-methyl-N-(4-phenylcyclohexyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide

C18H23N3OS2 — CID 51121156

IUPACN-methyl-N-(4-phenylcyclohexyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESCC(Sc1nncs1)C(=O)N(C)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H23N3OS2/c1-13(24-18-20-19-12-23-18)17(22)21(2)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-7,12-13,15-16H,8-11H2,1-2H3
InChIKeyZUIDTUKXOCQQND-UHFFFAOYSA-N
MW361.54 g/mol
LogP4.20
Rot. Bonds5

About N-methyl-N-(4-phenylcyclohexyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide

N-methyl-N-(4-phenylcyclohexyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (PubChem CID 51121156) has the molecular formula C18H23N3OS2 and a molecular weight of 361.54 g/mol. Its IUPAC name is N-methyl-N-(4-phenylcyclohexyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-methyl-N-(4-phenylcyclohexyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
PubChem CID51121156
Molecular FormulaC18H23N3OS2
Molecular Weight361.54 g/mol
Exact Mass361.13
IUPAC NameN-methyl-N-(4-phenylcyclohexyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
SMILESCC(Sc1nncs1)C(=O)N(C)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H23N3OS2/c1-13(24-18-20-19-12-23-18)17(22)21(2)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-7,12-13,15-16H,8-11H2,1-2H3
InChIKeyZUIDTUKXOCQQND-UHFFFAOYSA-N
XLogP4.20
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.54
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-1-(4-phenylcyclohexyl)-3-(1,3,4-thiadiazol-2-yl)urea
CID 75363597
(2R)-N-(1-phenylpiperidin-4-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 94533498
N-[1-[(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]piperidin-4-yl]benzamide
CID 51957012
N-(2-phenylethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51235523
(2S)-N-[(1R,2S)-2-methylcyclohexyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 98309879
N,2-dimethyl-N-(4-phenylpiperidin-1-yl)propanamide
CID 67402424
(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one
CID 2097604
(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one
CID 2097603
(2R)-N-(2-phenylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 2532142
(2S)-N-(2-phenylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 2532139
N-(2-methylsulfanylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51141818
(2S)-N-(cyclobutylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 94193477

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-phenylcyclohexyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The IUPAC name of N-methyl-N-(4-phenylcyclohexyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide (CID 51121156) is N-methyl-N-(4-phenylcyclohexyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for N-methyl-N-(4-phenylcyclohexyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The canonical SMILES for N-methyl-N-(4-phenylcyclohexyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is CC(Sc1nncs1)C(=O)N(C)C1CCC(c2ccccc2)CC1.
What is the InChIKey of N-methyl-N-(4-phenylcyclohexyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
The InChIKey is ZUIDTUKXOCQQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS2/c1-13(24-18-20-19-12-23-18)17(22)21(2)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-7,12-13,15-16H,8-11H2,1-2H3.
What are the key properties of N-methyl-N-(4-phenylcyclohexyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide?
N-methyl-N-(4-phenylcyclohexyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide has a molecular weight of 361.54 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-phenylcyclohexyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 51121156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).