2-[2-(methylamino)-2-phenylethyl]sulfanyl-N-propan-2-ylacetamide

C14H22N2OS — CID 114234994

IUPAC2-[2-(methylamino)-2-phenylethyl]sulfanyl-N-propan-2-ylacetamide
SMILESCNC(CSCC(=O)NC(C)C)c1ccccc1
InChIInChI=1S/C14H22N2OS/c1-11(2)16-14(17)10-18-9-13(15-3)12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3,(H,16,17)
InChIKeyKEMFPWVIGCYEPZ-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.20
Rot. Bonds7

About 2-[2-(methylamino)-2-phenylethyl]sulfanyl-N-propan-2-ylacetamide

2-[2-(methylamino)-2-phenylethyl]sulfanyl-N-propan-2-ylacetamide (PubChem CID 114234994) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-[2-(methylamino)-2-phenylethyl]sulfanyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(methylamino)-2-phenylethyl]sulfanyl-N-propan-2-ylacetamide
PubChem CID114234994
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-[2-(methylamino)-2-phenylethyl]sulfanyl-N-propan-2-ylacetamide
SMILESCNC(CSCC(=O)NC(C)C)c1ccccc1
InChIInChI=1S/C14H22N2OS/c1-11(2)16-14(17)10-18-9-13(15-3)12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3,(H,16,17)
InChIKeyKEMFPWVIGCYEPZ-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[2-(methylamino)-2-phenylethyl]sulfanylacetamide
CID 114234945
N-methyl-2-[2-(methylamino)-2-(3-methylphenyl)ethyl]sulfanylacetamide
CID 114232153
N-methyl-1-phenyl-2-propylsulfanylethanamine
CID 64613859
2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide
CID 30381565
N-methyl-2-pentylsulfanyl-1-phenylethanamine
CID 107762924
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide
CID 103944553
2-[[2-(carboxymethylsulfanyl)acetyl]amino]-2-phenylacetic acid
CID 104569833
2-(3-methyl-1,4-dioxonaphthalen-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 54496984
methyl 2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylacetate
CID 18078994
N-[(1R)-3-methyl-1-phenylbutyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 94019796
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 99950892
2-butan-2-ylsulfanyl-N-methyl-1-phenylethanamine
CID 64613225

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)-2-phenylethyl]sulfanyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(methylamino)-2-phenylethyl]sulfanyl-N-propan-2-ylacetamide (CID 114234994) is 2-[2-(methylamino)-2-phenylethyl]sulfanyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(methylamino)-2-phenylethyl]sulfanyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(methylamino)-2-phenylethyl]sulfanyl-N-propan-2-ylacetamide is CNC(CSCC(=O)NC(C)C)c1ccccc1.
What is the InChIKey of 2-[2-(methylamino)-2-phenylethyl]sulfanyl-N-propan-2-ylacetamide?
The InChIKey is KEMFPWVIGCYEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11(2)16-14(17)10-18-9-13(15-3)12-7-5-4-6-8-12/h4-8,11,13,15H,9-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-(methylamino)-2-phenylethyl]sulfanyl-N-propan-2-ylacetamide?
2-[2-(methylamino)-2-phenylethyl]sulfanyl-N-propan-2-ylacetamide has a molecular weight of 266.41 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)-2-phenylethyl]sulfanyl-N-propan-2-ylacetamide is sourced from PubChem (CID 114234994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).