2-tert-butylsulfanyl-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide

C18H30N2OS — CID 134022151

IUPAC2-tert-butylsulfanyl-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)CSC(C)(C)C
InChIInChI=1S/C18H30N2OS/c1-6-20(7-2)13-16-11-9-8-10-15(16)12-19-17(21)14-22-18(3,4)5/h8-11H,6-7,12-14H2,1-5H3,(H,19,21)
InChIKeyNFUMNLDXSGTFJI-UHFFFAOYSA-N
MW322.52 g/mol
LogP3.68
Rot. Bonds8

About 2-tert-butylsulfanyl-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide

2-tert-butylsulfanyl-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide (PubChem CID 134022151) has the molecular formula C18H30N2OS and a molecular weight of 322.52 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide
PubChem CID134022151
Molecular FormulaC18H30N2OS
Molecular Weight322.52 g/mol
Exact Mass322.21
IUPAC Name2-tert-butylsulfanyl-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)CSC(C)(C)C
InChIInChI=1S/C18H30N2OS/c1-6-20(7-2)13-16-11-9-8-10-15(16)12-19-17(21)14-22-18(3,4)5/h8-11H,6-7,12-14H2,1-5H3,(H,19,21)
InChIKeyNFUMNLDXSGTFJI-UHFFFAOYSA-N
XLogP3.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 60674556
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-ethoxyacetamide
CID 60676604
(2S)-2-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 119836094
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-2-phenylpropanamide
CID 134022161
2-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 43346662
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 86934936
3-[[2-(diethylaminomethyl)phenyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 114897128
(2S)-2-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylbutanamide
CID 61259162
3-[[2-(diethylaminomethyl)phenyl]methyl]-1-[(4-ethylphenyl)methyl]-1-methylurea
CID 52570254
(3R)-3-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-phenylpropanamide
CID 9073272
1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119836037
2-(5-amino-2-pyridinyl)-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide
CID 120640465

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide (CID 134022151) is 2-tert-butylsulfanyl-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide is CCN(CC)Cc1ccccc1CNC(=O)CSC(C)(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide?
The InChIKey is NFUMNLDXSGTFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2OS/c1-6-20(7-2)13-16-11-9-8-10-15(16)12-19-17(21)14-22-18(3,4)5/h8-11H,6-7,12-14H2,1-5H3,(H,19,21).
What are the key properties of 2-tert-butylsulfanyl-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide?
2-tert-butylsulfanyl-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide has a molecular weight of 322.52 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 134022151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).