2-(methylamino)-N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]acetamide

C14H22N2OS — CID 115152034

IUPAC2-(methylamino)-N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]acetamide
SMILESCNCC(=O)NCCc1ccc(SC(C)C)cc1
InChIInChI=1S/C14H22N2OS/c1-11(2)18-13-6-4-12(5-7-13)8-9-16-14(17)10-15-3/h4-7,11,15H,8-10H2,1-3H3,(H,16,17)
InChIKeyNNGXFMRJNWFBBT-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.07
Rot. Bonds7

About 2-(methylamino)-N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]acetamide

2-(methylamino)-N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]acetamide (PubChem CID 115152034) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]acetamide
PubChem CID115152034
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(methylamino)-N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]acetamide
SMILESCNCC(=O)NCCc1ccc(SC(C)C)cc1
InChIInChI=1S/C14H22N2OS/c1-11(2)18-13-6-4-12(5-7-13)8-9-16-14(17)10-15-3/h4-7,11,15H,8-10H2,1-3H3,(H,16,17)
InChIKeyNNGXFMRJNWFBBT-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 61219292
2-(methylamino)-1-(4-propan-2-ylsulfanylphenyl)ethanone
CID 96672644
3-(methylamino)-N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 115153341
N-(cyanomethyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 96663358
N-[2-(4-ethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158289
2-(ethylamino)-N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide
CID 115158053
N-[2-(4-methylsulfanylphenyl)ethyl]propanamide
CID 110790560
N-methyl-2-[(4-propan-2-ylsulfanylphenyl)methylsulfanyl]acetamide
CID 75452413
N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 99981215
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(methylamino)acetamide
CID 24694943
N-[2-(3-fluorophenyl)ethyl]-2-(methylamino)acetamide
CID 43566280
2-(4-propan-2-ylsulfanylphenyl)ethanamine
CID 63820186

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]acetamide (CID 115152034) is 2-(methylamino)-N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]acetamide is CNCC(=O)NCCc1ccc(SC(C)C)cc1.
What is the InChIKey of 2-(methylamino)-N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]acetamide?
The InChIKey is NNGXFMRJNWFBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11(2)18-13-6-4-12(5-7-13)8-9-16-14(17)10-15-3/h4-7,11,15H,8-10H2,1-3H3,(H,16,17).
What are the key properties of 2-(methylamino)-N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]acetamide?
2-(methylamino)-N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]acetamide has a molecular weight of 266.41 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]acetamide is sourced from PubChem (CID 115152034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).