(2S)-N-(2-tert-butylsulfanylethyl)-2-(3-chlorophenoxy)propanamide

C15H22ClNO2S — CID 94012025

IUPAC(2S)-N-(2-tert-butylsulfanylethyl)-2-(3-chlorophenoxy)propanamide
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)NCCSC(C)(C)C
InChIInChI=1S/C15H22ClNO2S/c1-11(19-13-7-5-6-12(16)10-13)14(18)17-8-9-20-15(2,3)4/h5-7,10-11H,8-9H2,1-4H3,(H,17,18)/t11-/m0/s1
InChIKeyNLQWHZQTLBEBOB-NSHDSACASA-N
MW315.87 g/mol
LogP3.76
Rot. Bonds6

About (2S)-N-(2-tert-butylsulfanylethyl)-2-(3-chlorophenoxy)propanamide

(2S)-N-(2-tert-butylsulfanylethyl)-2-(3-chlorophenoxy)propanamide (PubChem CID 94012025) has the molecular formula C15H22ClNO2S and a molecular weight of 315.87 g/mol. Its IUPAC name is (2S)-N-(2-tert-butylsulfanylethyl)-2-(3-chlorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-tert-butylsulfanylethyl)-2-(3-chlorophenoxy)propanamide
PubChem CID94012025
Molecular FormulaC15H22ClNO2S
Molecular Weight315.87 g/mol
Exact Mass315.11
IUPAC Name(2S)-N-(2-tert-butylsulfanylethyl)-2-(3-chlorophenoxy)propanamide
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)NCCSC(C)(C)C
InChIInChI=1S/C15H22ClNO2S/c1-11(19-13-7-5-6-12(16)10-13)14(18)17-8-9-20-15(2,3)4/h5-7,10-11H,8-9H2,1-4H3,(H,17,18)/t11-/m0/s1
InChIKeyNLQWHZQTLBEBOB-NSHDSACASA-N
XLogP3.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-N-(2-tert-butylsulfanylethyl)-2-(3-chlorophenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(2-tert-butylsulfanylethyl)-2-(3-methoxyphenoxy)propanamide
CID 28635088
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
N-(2-amino-2-methylpropyl)-2-(3-chlorophenoxy)propanamide
CID 81483033
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
(2S)-N-tert-butyl-2-(3-chlorophenoxy)propanamide
CID 966263
2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506597
(2S)-2-(3-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide
CID 38462113
(2S)-2-(3-chlorophenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 92647207
2-(3-chlorophenoxy)-N-(3-ethoxypropyl)propanamide
CID 46770327
2-(3-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide
CID 66006623
(2R)-N-(2-tert-butylsulfanylethyl)-2-(2,3-dimethylphenoxy)propanamide
CID 28571801
N-(2-tert-butylsulfanylethyl)-2-(2,3-dimethylphenoxy)propanamide
CID 43876130

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-tert-butylsulfanylethyl)-2-(3-chlorophenoxy)propanamide?
The IUPAC name of (2S)-N-(2-tert-butylsulfanylethyl)-2-(3-chlorophenoxy)propanamide (CID 94012025) is (2S)-N-(2-tert-butylsulfanylethyl)-2-(3-chlorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2-tert-butylsulfanylethyl)-2-(3-chlorophenoxy)propanamide?
The canonical SMILES for (2S)-N-(2-tert-butylsulfanylethyl)-2-(3-chlorophenoxy)propanamide is C[C@H](Oc1cccc(Cl)c1)C(=O)NCCSC(C)(C)C.
What is the InChIKey of (2S)-N-(2-tert-butylsulfanylethyl)-2-(3-chlorophenoxy)propanamide?
The InChIKey is NLQWHZQTLBEBOB-NSHDSACASA-N. The full InChI is InChI=1S/C15H22ClNO2S/c1-11(19-13-7-5-6-12(16)10-13)14(18)17-8-9-20-15(2,3)4/h5-7,10-11H,8-9H2,1-4H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-N-(2-tert-butylsulfanylethyl)-2-(3-chlorophenoxy)propanamide?
(2S)-N-(2-tert-butylsulfanylethyl)-2-(3-chlorophenoxy)propanamide has a molecular weight of 315.87 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-tert-butylsulfanylethyl)-2-(3-chlorophenoxy)propanamide is sourced from PubChem (CID 94012025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).