N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide

C20H26N2O2S — CID 119527201

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)NCC(N)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O2S/c1-14(2)15-4-6-16(7-5-15)19(21)12-22-20(23)13-25-18-10-8-17(24-3)9-11-18/h4-11,14,19H,12-13,21H2,1-3H3,(H,22,23)
InChIKeyYTCVQTITUSFUIM-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.73
Rot. Bonds8

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide (PubChem CID 119527201) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
PubChem CID119527201
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)NCC(N)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O2S/c1-14(2)15-4-6-16(7-5-15)19(21)12-22-20(23)13-25-18-10-8-17(24-3)9-11-18/h4-11,14,19H,12-13,21H2,1-3H3,(H,22,23)
InChIKeyYTCVQTITUSFUIM-UHFFFAOYSA-N
XLogP3.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 78687555
N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 55171211
3-methoxy-4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]butanoic acid
CID 103153245
2-(4-methoxyphenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724032
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 28956181
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92680171
1-[(4-methoxyphenyl)hydrazinylidene]-3-(4-propan-2-ylphenyl)sulfanylpropan-2-one
CID 67634039
N-(2-amino-2-phenylethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119527437
methyl 2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-3-methylbutanoate
CID 43406395
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide
CID 119526509
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 119526601
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(3-methoxyphenyl)propanamide;hydrochloride
CID 119526922

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide (CID 119527201) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide is COc1ccc(SCC(=O)NCC(N)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide?
The InChIKey is YTCVQTITUSFUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-14(2)15-4-6-16(7-5-15)19(21)12-22-20(23)13-25-18-10-8-17(24-3)9-11-18/h4-11,14,19H,12-13,21H2,1-3H3,(H,22,23).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide has a molecular weight of 358.51 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 119527201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).