N-tert-butyl-2-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide

C19H24N2OS — CID 86806985

IUPACN-tert-butyl-2-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccc(SCC(=O)N(Cc2ccccn2)C(C)(C)C)cc1
InChIInChI=1S/C19H24N2OS/c1-15-8-10-17(11-9-15)23-14-18(22)21(19(2,3)4)13-16-7-5-6-12-20-16/h5-12H,13-14H2,1-4H3
InChIKeyDDIJKUNXDNQCCA-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.31
Rot. Bonds5

About N-tert-butyl-2-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide

N-tert-butyl-2-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 86806985) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is N-tert-butyl-2-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
PubChem CID86806985
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC NameN-tert-butyl-2-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccc(SCC(=O)N(Cc2ccccn2)C(C)(C)C)cc1
InChIInChI=1S/C19H24N2OS/c1-15-8-10-17(11-9-15)23-14-18(22)21(19(2,3)4)13-16-7-5-6-12-20-16/h5-12H,13-14H2,1-4H3
InChIKeyDDIJKUNXDNQCCA-UHFFFAOYSA-N
XLogP4.31
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-N-ethyl-2-(4-methylphenyl)sulfanylacetamide
CID 39074949
N-(4-methylphenyl)sulfanyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 134442602
2-(4-fluorophenyl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 41004610
N-benzyl-2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-tert-butylacetamide
CID 6408935
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 41004715
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-methyl-N-(pyridin-2-ylmethyl)acetamide
CID 60559033
trans-(1R,2R)-N-tert-butyl-2-methyl-4-oxo-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 99858600
N-tert-butyl-2-methyl-4-oxo-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 91662409
N-tert-butyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 86806984
2-hydroxy-N,2-dimethyl-N-(pyridin-2-ylmethyl)propanamide
CID 104936654
ethyl 2-[(4-methylphenyl)methyl-(pyridin-2-ylmethyl)amino]-2-oxoacetate
CID 169111911
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)butanamide
CID 41086344

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-tert-butyl-2-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide (CID 86806985) is N-tert-butyl-2-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-tert-butyl-2-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide is Cc1ccc(SCC(=O)N(Cc2ccccn2)C(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is DDIJKUNXDNQCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-15-8-10-17(11-9-15)23-14-18(22)21(19(2,3)4)13-16-7-5-6-12-20-16/h5-12H,13-14H2,1-4H3.
What are the key properties of N-tert-butyl-2-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
N-tert-butyl-2-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 328.48 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 86806985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).