N-[2-(diethylamino)ethyl]-2-phenyl-2-phenylsulfanylacetamide

C20H26N2OS — CID 112759820

IUPACN-[2-(diethylamino)ethyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCCN(CC)CCNC(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C20H26N2OS/c1-3-22(4-2)16-15-21-20(23)19(17-11-7-5-8-12-17)24-18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3,(H,21,23)
InChIKeyDVLSWAIRCJPVAG-UHFFFAOYSA-N
MW342.51 g/mol
LogP3.98
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-2-phenyl-2-phenylsulfanylacetamide

N-[2-(diethylamino)ethyl]-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 112759820) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-phenyl-2-phenylsulfanylacetamide
PubChem CID112759820
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC NameN-[2-(diethylamino)ethyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCCN(CC)CCNC(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C20H26N2OS/c1-3-22(4-2)16-15-21-20(23)19(17-11-7-5-8-12-17)24-18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3,(H,21,23)
InChIKeyDVLSWAIRCJPVAG-UHFFFAOYSA-N
XLogP3.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-phenyl-2-phenylsulfanylacetyl)amino]pentanoic acid
CID 119234592
N-(2-phenoxyethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 16547374
(2R)-N-ethyl-2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]propanamide
CID 39964892
(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
CID 1371457
N-[2-(diethylamino)ethyl]-3,3-diphenylpropanamide
CID 59499353
N,N-diethyl-4-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzamide
CID 42905382
N-[2-(diethylamino)ethyl]-4-[(4-hydroxyphenyl)-phenylsulfanylmethyl]benzamide
CID 91231735
N-[2-(methylamino)propyl]-2-phenyl-2-phenylsulfanylacetamide;hydrochloride
CID 120831508
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-phenyl-2-phenylsulfanylacetamide
CID 4043890
2-phenyl-2-phenylsulfanyl-N,N-dipropylacetamide
CID 3702485
(2R)-N-(3-imidazol-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide
CID 27519078
(2R)-N-ethyl-N,2-diphenyl-2-phenylsulfanylacetamide
CID 884563

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-phenyl-2-phenylsulfanylacetamide (CID 112759820) is N-[2-(diethylamino)ethyl]-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-phenyl-2-phenylsulfanylacetamide is CCN(CC)CCNC(=O)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is DVLSWAIRCJPVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-3-22(4-2)16-15-21-20(23)19(17-11-7-5-8-12-17)24-18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(diethylamino)ethyl]-2-phenyl-2-phenylsulfanylacetamide?
N-[2-(diethylamino)ethyl]-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 342.51 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 112759820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).