N-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-2-methyl-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]propanamide

C16H26N2O4S — CID 21336990

IUPACN-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-2-methyl-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]propanamide
SMILESC=S(C)(=O)NC(C)(C)C(=O)NC(C)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C16H26N2O4S/c1-11(9-12-7-8-13(19)14(10-12)22-4)17-15(20)16(2,3)18-23(5,6)21/h7-8,10-11,19H,5,9H2,1-4,6H3,(H,17,20)(H,18,21)
InChIKeySFGNSTAYMOHDES-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.08
Rot. Bonds7

About N-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-2-methyl-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]propanamide

N-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-2-methyl-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]propanamide (PubChem CID 21336990) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-2-methyl-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]propanamide.

Molecular Properties

Compound NameN-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-2-methyl-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]propanamide
PubChem CID21336990
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-2-methyl-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]propanamide
SMILESC=S(C)(=O)NC(C)(C)C(=O)NC(C)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C16H26N2O4S/c1-11(9-12-7-8-13(19)14(10-12)22-4)17-15(20)16(2,3)18-23(5,6)21/h7-8,10-11,19H,5,9H2,1-4,6H3,(H,17,20)(H,18,21)
InChIKeySFGNSTAYMOHDES-UHFFFAOYSA-N
XLogP1.08
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-methoxy-4-prop-2-ynoxyphenyl)propan-2-yl]-2-methyl-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]propanamide
CID 21336988
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 139749507
4-[2-(hydroxyamino)propyl]-2-methoxyphenol
CID 45091599
4-[(2R)-2-(ethylamino)propyl]-2-methoxyphenol
CID 100950888
tert-butyl 2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoate
CID 58545613
N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide
CID 14099978
methyl (3R)-4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methylbutanoate
CID 143847693
methyl 3-(4-hydroxy-3-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 22571735
4-(2-iodopropyl)-2-methoxyphenol
CID 89111818
2-(4-hydroxy-3-methoxyphenyl)ethane-1,1-diol
CID 146954758
2-bromo-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide
CID 15020216
tert-butyl N-[1-[(4-hydroxy-3-methoxyphenyl)methylamino]propan-2-yl]carbamate
CID 107247978

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-2-methyl-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]propanamide?
The IUPAC name of N-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-2-methyl-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]propanamide (CID 21336990) is N-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-2-methyl-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]propanamide.
What is the SMILES notation for N-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-2-methyl-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]propanamide?
The canonical SMILES for N-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-2-methyl-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]propanamide is C=S(C)(=O)NC(C)(C)C(=O)NC(C)Cc1ccc(O)c(OC)c1.
What is the InChIKey of N-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-2-methyl-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]propanamide?
The InChIKey is SFGNSTAYMOHDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-11(9-12-7-8-13(19)14(10-12)22-4)17-15(20)16(2,3)18-23(5,6)21/h7-8,10-11,19H,5,9H2,1-4,6H3,(H,17,20)(H,18,21).
What are the key properties of N-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-2-methyl-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]propanamide?
N-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-2-methyl-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]propanamide has a molecular weight of 342.46 g/mol, XLogP of 1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-2-methyl-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]propanamide is sourced from PubChem (CID 21336990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).