N-(4-amino-2-methoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide

C14H22N2O3S — CID 66104221

IUPACN-(4-amino-2-methoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
SMILESCOc1cc(N)ccc1NC(=O)C(C)SCC(C)CO
InChIInChI=1S/C14H22N2O3S/c1-9(7-17)8-20-10(2)14(18)16-12-5-4-11(15)6-13(12)19-3/h4-6,9-10,17H,7-8,15H2,1-3H3,(H,16,18)
InChIKeyZDUPINDHWHFEOB-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.97
Rot. Bonds7

About N-(4-amino-2-methoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide

N-(4-amino-2-methoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide (PubChem CID 66104221) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
PubChem CID66104221
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(4-amino-2-methoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
SMILESCOc1cc(N)ccc1NC(=O)C(C)SCC(C)CO
InChIInChI=1S/C14H22N2O3S/c1-9(7-17)8-20-10(2)14(18)16-12-5-4-11(15)6-13(12)19-3/h4-6,9-10,17H,7-8,15H2,1-3H3,(H,16,18)
InChIKeyZDUPINDHWHFEOB-UHFFFAOYSA-N
XLogP1.97
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-fluorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 66105977
N-(4-amino-2-methoxyphenyl)-4-(3-hydroxy-2-methylpropyl)sulfanylbutanamide
CID 66103319
N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 66103984
N-(4-amino-2-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 43104129
N-(2,4-difluorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 111463782
N-(4-amino-2-methoxyphenyl)-2-(oxan-4-ylsulfanyl)propanamide
CID 62995880
N-(4-amino-2-methoxyphenyl)-2-(2-methylpentoxy)propanamide
CID 103282970
N-(4-amino-2-methoxyphenyl)-4-propan-2-ylsulfanylbutanamide
CID 60886583
N-(4-amino-2-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]propanamide
CID 43271750
N-(2-amino-4-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)propanamide
CID 79683036
N-(4-amino-2-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropanamide
CID 63381129
N-(4-amino-2-methoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 54852607

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide (CID 66104221) is N-(4-amino-2-methoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide is COc1cc(N)ccc1NC(=O)C(C)SCC(C)CO.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide?
The InChIKey is ZDUPINDHWHFEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-9(7-17)8-20-10(2)14(18)16-12-5-4-11(15)6-13(12)19-3/h4-6,9-10,17H,7-8,15H2,1-3H3,(H,16,18).
What are the key properties of N-(4-amino-2-methoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide?
N-(4-amino-2-methoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide has a molecular weight of 298.41 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide is sourced from PubChem (CID 66104221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).