N-(2-amino-4-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide

C15H23N3O2S — CID 43296316

IUPACN-(2-amino-4-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide
SMILESCOc1ccc(NC(=O)CCN(C)C2CCSC2)c(N)c1
InChIInChI=1S/C15H23N3O2S/c1-18(11-6-8-21-10-11)7-5-15(19)17-14-4-3-12(20-2)9-13(14)16/h3-4,9,11H,5-8,10,16H2,1-2H3,(H,17,19)
InChIKeySYWTZAODOXGYNB-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.04
Rot. Bonds6

About N-(2-amino-4-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide

N-(2-amino-4-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide (PubChem CID 43296316) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide
PubChem CID43296316
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-(2-amino-4-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide
SMILESCOc1ccc(NC(=O)CCN(C)C2CCSC2)c(N)c1
InChIInChI=1S/C15H23N3O2S/c1-18(11-6-8-21-10-11)7-5-15(19)17-14-4-3-12(20-2)9-13(14)16/h3-4,9,11H,5-8,10,16H2,1-2H3,(H,17,19)
InChIKeySYWTZAODOXGYNB-UHFFFAOYSA-N
XLogP2.04
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]acetamide
CID 43296339
N-(5-amino-2-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide
CID 43296317
N-(2-amino-5-chlorophenyl)-4-[methyl(thiolan-3-yl)amino]butanamide
CID 43296286
N-(2-amino-4-methoxyphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide
CID 43569669
N-(2-amino-4-methoxyphenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide
CID 43568691
N-(2-amino-4-methoxyphenyl)-4-thiomorpholin-4-ylbutanamide
CID 28556237
N-(2-amino-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16779432
N-(2-amino-4-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272559
N-(2-amino-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 54879538
N-(2-amino-4-methoxyphenyl)-2-cycloheptylacetamide
CID 114457002
N-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480
N-(2-amino-4-methoxyphenyl)-4-[methyl(2-methylsulfanylethyl)amino]butanamide
CID 115985312

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide (CID 43296316) is N-(2-amino-4-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide is COc1ccc(NC(=O)CCN(C)C2CCSC2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide?
The InChIKey is SYWTZAODOXGYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-18(11-6-8-21-10-11)7-5-15(19)17-14-4-3-12(20-2)9-13(14)16/h3-4,9,11H,5-8,10,16H2,1-2H3,(H,17,19).
What are the key properties of N-(2-amino-4-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide?
N-(2-amino-4-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide has a molecular weight of 309.44 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide is sourced from PubChem (CID 43296316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).