N-(3,3-diphenylpropyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C21H22N2OS2 — CID 8002458

IUPACN-(3,3-diphenylpropyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)NCCC(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C21H22N2OS2/c1-16-14-25-21(23-16)26-15-20(24)22-13-12-19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,14,19H,12-13,15H2,1H3,(H,22,24)
InChIKeyHDXUGHWYNIABEJ-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.88
Rot. Bonds8

About N-(3,3-diphenylpropyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-(3,3-diphenylpropyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 8002458) has the molecular formula C21H22N2OS2 and a molecular weight of 382.55 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID8002458
Molecular FormulaC21H22N2OS2
Molecular Weight382.55 g/mol
Exact Mass382.12
IUPAC NameN-(3,3-diphenylpropyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)NCCC(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C21H22N2OS2/c1-16-14-25-21(23-16)26-15-20(24)22-13-12-19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,14,19H,12-13,15H2,1H3,(H,22,24)
InChIKeyHDXUGHWYNIABEJ-UHFFFAOYSA-N
XLogP4.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1,2-diphenylethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 8538466
N-hexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 47115851
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 25345762
N-(3,3-diphenylpropyl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 60561112
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 7499952
N-[(3-chlorophenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2497131
N-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4031072
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3,3-diphenylpropyl)acetamide
CID 36895601
1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one
CID 43414039
N-(2,3-dimethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532833
methyl 2-[[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 2533012
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 9484056

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 8002458) is N-(3,3-diphenylpropyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is Cc1csc(SCC(=O)NCCC(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is HDXUGHWYNIABEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS2/c1-16-14-25-21(23-16)26-15-20(24)22-13-12-19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,14,19H,12-13,15H2,1H3,(H,22,24).
What are the key properties of N-(3,3-diphenylpropyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-(3,3-diphenylpropyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 382.55 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 8002458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).