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

C15H24N2O3S — CID 66103319

IUPACN-(4-amino-2-methoxyphenyl)-4-(3-hydroxy-2-methylpropyl)sulfanylbutanamide
SMILESCOc1cc(N)ccc1NC(=O)CCCSCC(C)CO
InChIInChI=1S/C15H24N2O3S/c1-11(9-18)10-21-7-3-4-15(19)17-13-6-5-12(16)8-14(13)20-2/h5-6,8,11,18H,3-4,7,9-10,16H2,1-2H3,(H,17,19)
InChIKeyLDBQCNPDAMQWJI-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.36
Rot. Bonds9

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

N-(4-amino-2-methoxyphenyl)-4-(3-hydroxy-2-methylpropyl)sulfanylbutanamide (PubChem CID 66103319) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-4-(3-hydroxy-2-methylpropyl)sulfanylbutanamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-4-(3-hydroxy-2-methylpropyl)sulfanylbutanamide
PubChem CID66103319
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(4-amino-2-methoxyphenyl)-4-(3-hydroxy-2-methylpropyl)sulfanylbutanamide
SMILESCOc1cc(N)ccc1NC(=O)CCCSCC(C)CO
InChIInChI=1S/C15H24N2O3S/c1-11(9-18)10-21-7-3-4-15(19)17-13-6-5-12(16)8-14(13)20-2/h5-6,8,11,18H,3-4,7,9-10,16H2,1-2H3,(H,17,19)
InChIKeyLDBQCNPDAMQWJI-UHFFFAOYSA-N
XLogP2.36
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-amino-2-methoxyphenyl)-4-(3-hydroxy-2-methylpropyl)sulfanylbutanamide 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-(4-amino-2-methoxyphenyl)-4-(2-methylpropylsulfanyl)butanamide
CID 28982174
N-(4-amino-2-methoxyphenyl)-4-propan-2-ylsulfanylbutanamide
CID 60886583
N-(4-amino-2-methoxyphenyl)nonanamide
CID 65447968
N-(4-amino-2-methoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 66104221
N-(5-amino-2-methoxyphenyl)-4-(2-hydroxyethylsulfanyl)butanamide
CID 43617487
N-(4-amino-2-methoxyphenyl)-2-pentylsulfanylacetamide
CID 107748558
N-(4-amino-2-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272523
ethyl 2-[3-(4-amino-2-methoxyanilino)-3-oxopropyl]sulfanylacetate
CID 43618313
N-(5-amino-2-methoxyphenyl)-4-(2-methoxyethylsulfanyl)butanamide
CID 43446037
methyl 2-[4-(5-amino-2-methoxyanilino)-4-oxobutyl]sulfanylacetate
CID 43618014
N-(4-amino-2-methoxyphenyl)-3-[methyl(2-methylbutyl)amino]propanamide
CID 43295359
N-(4-amino-2-methoxyphenyl)-4-[2-methoxyethyl(methyl)amino]butanamide
CID 61427454

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-4-(3-hydroxy-2-methylpropyl)sulfanylbutanamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-4-(3-hydroxy-2-methylpropyl)sulfanylbutanamide (CID 66103319) is N-(4-amino-2-methoxyphenyl)-4-(3-hydroxy-2-methylpropyl)sulfanylbutanamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-4-(3-hydroxy-2-methylpropyl)sulfanylbutanamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-4-(3-hydroxy-2-methylpropyl)sulfanylbutanamide is COc1cc(N)ccc1NC(=O)CCCSCC(C)CO.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-4-(3-hydroxy-2-methylpropyl)sulfanylbutanamide?
The InChIKey is LDBQCNPDAMQWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(9-18)10-21-7-3-4-15(19)17-13-6-5-12(16)8-14(13)20-2/h5-6,8,11,18H,3-4,7,9-10,16H2,1-2H3,(H,17,19).
What are the key properties of N-(4-amino-2-methoxyphenyl)-4-(3-hydroxy-2-methylpropyl)sulfanylbutanamide?
N-(4-amino-2-methoxyphenyl)-4-(3-hydroxy-2-methylpropyl)sulfanylbutanamide has a molecular weight of 312.44 g/mol, XLogP of 2.36, 9 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)-4-(3-hydroxy-2-methylpropyl)sulfanylbutanamide is sourced from PubChem (CID 66103319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).