N,N-diethyl-2-(4-hydroxynaphthalen-1-yl)sulfanylpropanamide

C17H21NO2S — CID 115945257

IUPACN,N-diethyl-2-(4-hydroxynaphthalen-1-yl)sulfanylpropanamide
SMILESCCN(CC)C(=O)C(C)Sc1ccc(O)c2ccccc12
InChIInChI=1S/C17H21NO2S/c1-4-18(5-2)17(20)12(3)21-16-11-10-15(19)13-8-6-7-9-14(13)16/h6-12,19H,4-5H2,1-3H3
InChIKeyPCWXZUKVRKNWOE-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.89
Rot. Bonds5

About N,N-diethyl-2-(4-hydroxynaphthalen-1-yl)sulfanylpropanamide

N,N-diethyl-2-(4-hydroxynaphthalen-1-yl)sulfanylpropanamide (PubChem CID 115945257) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N,N-diethyl-2-(4-hydroxynaphthalen-1-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-hydroxynaphthalen-1-yl)sulfanylpropanamide
PubChem CID115945257
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN,N-diethyl-2-(4-hydroxynaphthalen-1-yl)sulfanylpropanamide
SMILESCCN(CC)C(=O)C(C)Sc1ccc(O)c2ccccc12
InChIInChI=1S/C17H21NO2S/c1-4-18(5-2)17(20)12(3)21-16-11-10-15(19)13-8-6-7-9-14(13)16/h6-12,19H,4-5H2,1-3H3
InChIKeyPCWXZUKVRKNWOE-UHFFFAOYSA-N
XLogP3.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N,N-diethyl-2-phenylsulfanylpropanamide
CID 39073889
2-(2-aminophenyl)sulfanyl-N,N-diethylpropanamide
CID 43117358
2-(4-hydroxynaphthalen-1-yl)sulfanyl-3-methylbutanoic acid
CID 112595969
N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 6489112
N,N-diethyl-2-naphthalen-1-ylpropanamide
CID 15100949
2-methylpropane;naphthalene-1,4-diol
CID 144756444
N,N-diethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanamide
CID 134038533
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylsulfanylpropanamide
CID 111596437
2-(2-amino-5-bromophenyl)sulfanyl-N,N-diethylpropanamide
CID 79533528
2-(5-amino-2-chlorophenyl)sulfanyl-N,N-diethylpropanamide
CID 79134085
N,N-diethyl-2-[3-(hydroxymethyl)phenyl]sulfanylpropanamide
CID 66347576
N,N-diethyl-2-[(2-methylphenyl)methylsulfanyl]propanamide
CID 78841431

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-hydroxynaphthalen-1-yl)sulfanylpropanamide?
The IUPAC name of N,N-diethyl-2-(4-hydroxynaphthalen-1-yl)sulfanylpropanamide (CID 115945257) is N,N-diethyl-2-(4-hydroxynaphthalen-1-yl)sulfanylpropanamide.
What is the SMILES notation for N,N-diethyl-2-(4-hydroxynaphthalen-1-yl)sulfanylpropanamide?
The canonical SMILES for N,N-diethyl-2-(4-hydroxynaphthalen-1-yl)sulfanylpropanamide is CCN(CC)C(=O)C(C)Sc1ccc(O)c2ccccc12.
What is the InChIKey of N,N-diethyl-2-(4-hydroxynaphthalen-1-yl)sulfanylpropanamide?
The InChIKey is PCWXZUKVRKNWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-4-18(5-2)17(20)12(3)21-16-11-10-15(19)13-8-6-7-9-14(13)16/h6-12,19H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-(4-hydroxynaphthalen-1-yl)sulfanylpropanamide?
N,N-diethyl-2-(4-hydroxynaphthalen-1-yl)sulfanylpropanamide has a molecular weight of 303.43 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-hydroxynaphthalen-1-yl)sulfanylpropanamide is sourced from PubChem (CID 115945257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).