(2S)-N-tert-butyl-2-(2-methoxyphenyl)sulfanylpropanamide

C14H21NO2S — CID 94214605

IUPAC(2S)-N-tert-butyl-2-(2-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccccc1S[C@@H](C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H21NO2S/c1-10(13(16)15-14(2,3)4)18-12-9-7-6-8-11(12)17-5/h6-10H,1-5H3,(H,15,16)/t10-/m0/s1
InChIKeyJJWMJBGRWADAJQ-JTQLQIEISA-N
MW267.39 g/mol
LogP3.09
Rot. Bonds4

About (2S)-N-tert-butyl-2-(2-methoxyphenyl)sulfanylpropanamide

(2S)-N-tert-butyl-2-(2-methoxyphenyl)sulfanylpropanamide (PubChem CID 94214605) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-(2-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-2-(2-methoxyphenyl)sulfanylpropanamide
PubChem CID94214605
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name(2S)-N-tert-butyl-2-(2-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccccc1S[C@@H](C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H21NO2S/c1-10(13(16)15-14(2,3)4)18-12-9-7-6-8-11(12)17-5/h6-10H,1-5H3,(H,15,16)/t10-/m0/s1
InChIKeyJJWMJBGRWADAJQ-JTQLQIEISA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-tert-butyl-2-(2-methoxyphenyl)sulfanylpropanamide 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

N-tert-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide
CID 62028576
(2R)-N-cyclopropyl-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214634
(2S)-N-tert-butyl-2-phenylsulfanylpropanamide
CID 875313
(2S)-N-cyclopentyl-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214627
(2S)-N-(ethylcarbamoyl)-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214626
N-(4-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide
CID 61298346
N-(2-aminophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide
CID 61298351
N-tert-butyl-2-chloro-2-(2-methoxyphenyl)acetamide
CID 62224063
2-(2-methoxyphenyl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 60593777
2-(2-methoxyphenyl)sulfanylpropanedioate
CID 19934779
(2S)-3-(2-methoxyphenyl)sulfanyl-2-methylbutanoic acid
CID 67266710
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 17445171

Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-(2-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-tert-butyl-2-(2-methoxyphenyl)sulfanylpropanamide (CID 94214605) is (2S)-N-tert-butyl-2-(2-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-tert-butyl-2-(2-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-tert-butyl-2-(2-methoxyphenyl)sulfanylpropanamide is COc1ccccc1S[C@@H](C)C(=O)NC(C)(C)C.
What is the InChIKey of (2S)-N-tert-butyl-2-(2-methoxyphenyl)sulfanylpropanamide?
The InChIKey is JJWMJBGRWADAJQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10(13(16)15-14(2,3)4)18-12-9-7-6-8-11(12)17-5/h6-10H,1-5H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-2-(2-methoxyphenyl)sulfanylpropanamide?
(2S)-N-tert-butyl-2-(2-methoxyphenyl)sulfanylpropanamide has a molecular weight of 267.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-2-(2-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 94214605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).