N,N-diethyl-2-(2-methylpropylsulfanyl)-2-phenylacetamide

C16H25NOS — CID 112795259

IUPACN,N-diethyl-2-(2-methylpropylsulfanyl)-2-phenylacetamide
SMILESCCN(CC)C(=O)C(SCC(C)C)c1ccccc1
InChIInChI=1S/C16H25NOS/c1-5-17(6-2)16(18)15(19-12-13(3)4)14-10-8-7-9-11-14/h7-11,13,15H,5-6,12H2,1-4H3
InChIKeyHZPARFQRKGHDSY-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.99
Rot. Bonds7

About N,N-diethyl-2-(2-methylpropylsulfanyl)-2-phenylacetamide

N,N-diethyl-2-(2-methylpropylsulfanyl)-2-phenylacetamide (PubChem CID 112795259) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N,N-diethyl-2-(2-methylpropylsulfanyl)-2-phenylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(2-methylpropylsulfanyl)-2-phenylacetamide
PubChem CID112795259
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN,N-diethyl-2-(2-methylpropylsulfanyl)-2-phenylacetamide
SMILESCCN(CC)C(=O)C(SCC(C)C)c1ccccc1
InChIInChI=1S/C16H25NOS/c1-5-17(6-2)16(18)15(19-12-13(3)4)14-10-8-7-9-11-14/h7-11,13,15H,5-6,12H2,1-4H3
InChIKeyHZPARFQRKGHDSY-UHFFFAOYSA-N
XLogP3.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-butylsulfanyl-N,N-diethyl-2-phenylacetamide
CID 112795257
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 90474492
N,N-bis(2-methylpropyl)-2-phenyl-2-phenylsulfanylacetamide
CID 5102974
ethyl 2-(2-methylbutylsulfanyl)-2-phenylacetate
CID 107746314
N,N-diethyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 60598100
(2R,3R)-N,N-diethyl-3-hydroxy-2,3-diphenylpropanamide
CID 10756442
3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
(2S)-N,N-diethyl-2-phenylsulfanylpropanamide
CID 39073889
(2R,3S)-N,N-diethyl-2-methyl-3-phenylpent-4-enamide
CID 134922582
N,N-diethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylacetamide
CID 55410522
1-(2-methylpropylsulfanyl)ethylbenzene
CID 126656932

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-methylpropylsulfanyl)-2-phenylacetamide?
The IUPAC name of N,N-diethyl-2-(2-methylpropylsulfanyl)-2-phenylacetamide (CID 112795259) is N,N-diethyl-2-(2-methylpropylsulfanyl)-2-phenylacetamide.
What is the SMILES notation for N,N-diethyl-2-(2-methylpropylsulfanyl)-2-phenylacetamide?
The canonical SMILES for N,N-diethyl-2-(2-methylpropylsulfanyl)-2-phenylacetamide is CCN(CC)C(=O)C(SCC(C)C)c1ccccc1.
What is the InChIKey of N,N-diethyl-2-(2-methylpropylsulfanyl)-2-phenylacetamide?
The InChIKey is HZPARFQRKGHDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-5-17(6-2)16(18)15(19-12-13(3)4)14-10-8-7-9-11-14/h7-11,13,15H,5-6,12H2,1-4H3.
What are the key properties of N,N-diethyl-2-(2-methylpropylsulfanyl)-2-phenylacetamide?
N,N-diethyl-2-(2-methylpropylsulfanyl)-2-phenylacetamide has a molecular weight of 279.45 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-methylpropylsulfanyl)-2-phenylacetamide is sourced from PubChem (CID 112795259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).