N-(5-amino-2-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide

C15H23N3O2S — CID 43296317

IUPACN-(5-amino-2-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide
SMILESCOc1ccc(N)cc1NC(=O)CCN(C)C1CCSC1
InChIInChI=1S/C15H23N3O2S/c1-18(12-6-8-21-10-12)7-5-15(19)17-13-9-11(16)3-4-14(13)20-2/h3-4,9,12H,5-8,10,16H2,1-2H3,(H,17,19)
InChIKeyXJCURCCWUHEAIO-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.04
Rot. Bonds6

About N-(5-amino-2-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide

N-(5-amino-2-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide (PubChem CID 43296317) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide
PubChem CID43296317
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-(5-amino-2-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide
SMILESCOc1ccc(N)cc1NC(=O)CCN(C)C1CCSC1
InChIInChI=1S/C15H23N3O2S/c1-18(12-6-8-21-10-12)7-5-15(19)17-13-9-11(16)3-4-14(13)20-2/h3-4,9,12H,5-8,10,16H2,1-2H3,(H,17,19)
InChIKeyXJCURCCWUHEAIO-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)-3-[methyl(thiolan-3-yl)amino]propanamide
CID 43296316
N-(5-amino-2-methoxyphenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide
CID 60984755
N-(5-amino-2-methoxyphenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16785339
N-(2-amino-5-chlorophenyl)-4-[methyl(thiolan-3-yl)amino]butanamide
CID 43296286
N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide
CID 43266810
N-(2-amino-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]acetamide
CID 43296339
N-(5-amino-2-methoxyphenyl)-4-[1-hydroxypropan-2-yl(methyl)amino]butanamide
CID 104551240
N-(5-amino-2-methoxyphenyl)-4-[methyl(2-methylsulfanylethyl)amino]butanamide
CID 115985299
N-(5-amino-2-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 63950896
N-(5-amino-2-fluorophenyl)-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propanamide
CID 129323175
N-(5-amino-2-methoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 16782750
N-(5-amino-2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 16784173

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide (CID 43296317) is N-(5-amino-2-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide is COc1ccc(N)cc1NC(=O)CCN(C)C1CCSC1.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide?
The InChIKey is XJCURCCWUHEAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-18(12-6-8-21-10-12)7-5-15(19)17-13-9-11(16)3-4-14(13)20-2/h3-4,9,12H,5-8,10,16H2,1-2H3,(H,17,19).
What are the key properties of N-(5-amino-2-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide?
N-(5-amino-2-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-(5-amino-2-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide is sourced from PubChem (CID 43296317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).