N-[2-(2-methoxyphenyl)-2-methylpropyl]-3-sulfanylpropanamide

C14H21NO2S — CID 115168146

IUPACN-[2-(2-methoxyphenyl)-2-methylpropyl]-3-sulfanylpropanamide
SMILESCOc1ccccc1C(C)(C)CNC(=O)CCS
InChIInChI=1S/C14H21NO2S/c1-14(2,10-15-13(16)8-9-18)11-6-4-5-7-12(11)17-3/h4-7,18H,8-10H2,1-3H3,(H,15,16)
InChIKeyAGEDBVHIAYWVIS-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.41
Rot. Bonds6

About N-[2-(2-methoxyphenyl)-2-methylpropyl]-3-sulfanylpropanamide

N-[2-(2-methoxyphenyl)-2-methylpropyl]-3-sulfanylpropanamide (PubChem CID 115168146) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-2-methylpropyl]-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-2-methylpropyl]-3-sulfanylpropanamide
PubChem CID115168146
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-[2-(2-methoxyphenyl)-2-methylpropyl]-3-sulfanylpropanamide
SMILESCOc1ccccc1C(C)(C)CNC(=O)CCS
InChIInChI=1S/C14H21NO2S/c1-14(2,10-15-13(16)8-9-18)11-6-4-5-7-12(11)17-3/h4-7,18H,8-10H2,1-3H3,(H,15,16)
InChIKeyAGEDBVHIAYWVIS-UHFFFAOYSA-N
XLogP2.41
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-[2-(2-methoxyphenyl)-2-methylpropyl]-3-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

2-amino-N-[2-(2-methoxyphenyl)-2-methylpropyl]acetamide
CID 115151861
N-[2-(2-methoxyphenyl)-2-methylpropyl]acetamide
CID 115191491
2-amino-N-[2-(2-methoxyphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152834
3-amino-N-[2-(5-bromo-2-methoxyphenyl)-2-methylpropyl]propanamide
CID 115153147
1-N-[2-(2-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 115136375
1-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyrrolidine-1,3-dicarboxamide
CID 154775414
N-[2-(4-bromophenyl)-2-methylpropyl]-3-sulfanylpropanamide
CID 115168128
(2R)-2-(2-ethoxyethoxy)-N-[2-(2-methoxyphenyl)-2-methylpropyl]propanamide
CID 95021294
3-fluoro-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyridine-4-carboxamide
CID 75373199
N-(2-methyl-2-pyridin-3-ylpropyl)-3-sulfanylpropanamide
CID 115168144
methyl 3-[[2-(2-bromophenyl)-2-methylpropyl]amino]-3-oxopropanoate
CID 115174564
N-[2-(2-fluorophenyl)-2-methylpropyl]-3,4-dimethoxybenzamide
CID 110441404

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-2-methylpropyl]-3-sulfanylpropanamide?
The IUPAC name of N-[2-(2-methoxyphenyl)-2-methylpropyl]-3-sulfanylpropanamide (CID 115168146) is N-[2-(2-methoxyphenyl)-2-methylpropyl]-3-sulfanylpropanamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-2-methylpropyl]-3-sulfanylpropanamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)-2-methylpropyl]-3-sulfanylpropanamide is COc1ccccc1C(C)(C)CNC(=O)CCS.
What is the InChIKey of N-[2-(2-methoxyphenyl)-2-methylpropyl]-3-sulfanylpropanamide?
The InChIKey is AGEDBVHIAYWVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-14(2,10-15-13(16)8-9-18)11-6-4-5-7-12(11)17-3/h4-7,18H,8-10H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(2-methoxyphenyl)-2-methylpropyl]-3-sulfanylpropanamide?
N-[2-(2-methoxyphenyl)-2-methylpropyl]-3-sulfanylpropanamide has a molecular weight of 267.39 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-2-methylpropyl]-3-sulfanylpropanamide is sourced from PubChem (CID 115168146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).