N,N-diethyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide

C14H21NO2S — CID 64665943

IUPACN,N-diethyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1cccc(C(C)O)c1
InChIInChI=1S/C14H21NO2S/c1-4-15(5-2)14(17)10-18-13-8-6-7-12(9-13)11(3)16/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyFZSSQVMIDKMJLH-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.70
Rot. Bonds6

About N,N-diethyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide

N,N-diethyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide (PubChem CID 64665943) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N,N-diethyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
PubChem CID64665943
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN,N-diethyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1cccc(C(C)O)c1
InChIInChI=1S/C14H21NO2S/c1-4-15(5-2)14(17)10-18-13-8-6-7-12(9-13)11(3)16/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyFZSSQVMIDKMJLH-UHFFFAOYSA-N
XLogP2.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665949
2-[3-(1-hydroxyethyl)phenyl]sulfanyl-N-propan-2-ylacetamide
CID 64665108
1-[3-(2-methylidenebutylsulfanyl)phenyl]ethanol
CID 66038314
(1R)-1-(3-propylsulfanylphenyl)ethanol
CID 96718323
4-[3-(1-hydroxyethyl)phenyl]sulfanyl-N,N-dimethylbutanamide
CID 64667036
N-cyclopropyl-N-ethyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylacetamide
CID 64663797
N-cyclopropyl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-N-methylacetamide
CID 64665708
2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-(4-methylpiperazin-1-yl)ethanone
CID 64664246
N-cyclopropyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665950
2-[3-(1-hydroxyethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone
CID 64665740
1-[3-(3-methylbut-3-enylsulfanyl)phenyl]ethanol
CID 114476943
N-benzyl-N-ethyl-2-phenylsulfanylacetamide
CID 1122625

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide?
The IUPAC name of N,N-diethyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide (CID 64665943) is N,N-diethyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N,N-diethyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N,N-diethyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide is CCN(CC)C(=O)CSc1cccc(C(C)O)c1.
What is the InChIKey of N,N-diethyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide?
The InChIKey is FZSSQVMIDKMJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-4-15(5-2)14(17)10-18-13-8-6-7-12(9-13)11(3)16/h6-9,11,16H,4-5,10H2,1-3H3.
What are the key properties of N,N-diethyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide?
N,N-diethyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide has a molecular weight of 267.39 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 64665943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).