4-amino-3-methoxy-N-(2-methyl-4-phenylsulfanylphenyl)butanamide

C18H22N2O2S — CID 120590312

IUPAC4-amino-3-methoxy-N-(2-methyl-4-phenylsulfanylphenyl)butanamide
SMILESCOC(CN)CC(=O)Nc1ccc(Sc2ccccc2)cc1C
InChIInChI=1S/C18H22N2O2S/c1-13-10-16(23-15-6-4-3-5-7-15)8-9-17(13)20-18(21)11-14(12-19)22-2/h3-10,14H,11-12,19H2,1-2H3,(H,20,21)
InChIKeyUDKCZOSZFHXADN-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.45
Rot. Bonds7

About 4-amino-3-methoxy-N-(2-methyl-4-phenylsulfanylphenyl)butanamide

4-amino-3-methoxy-N-(2-methyl-4-phenylsulfanylphenyl)butanamide (PubChem CID 120590312) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(2-methyl-4-phenylsulfanylphenyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(2-methyl-4-phenylsulfanylphenyl)butanamide
PubChem CID120590312
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name4-amino-3-methoxy-N-(2-methyl-4-phenylsulfanylphenyl)butanamide
SMILESCOC(CN)CC(=O)Nc1ccc(Sc2ccccc2)cc1C
InChIInChI=1S/C18H22N2O2S/c1-13-10-16(23-15-6-4-3-5-7-15)8-9-17(13)20-18(21)11-14(12-19)22-2/h3-10,14H,11-12,19H2,1-2H3,(H,20,21)
InChIKeyUDKCZOSZFHXADN-UHFFFAOYSA-N
XLogP3.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)butanamide
CID 120591213
4-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)-3-methoxybutanamide;hydrochloride
CID 120590794
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide
CID 103154240
2,2-dimethyl-4-(2-methyl-4-phenylsulfanylanilino)-4-oxobutanoic acid
CID 119133707
4-amino-3-methoxy-N-(4-methyl-2-phenylmethoxyphenyl)butanamide
CID 120588954
4-amino-3-methoxy-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]butanamide
CID 120590934
4-amino-N-(2-cyano-3-methylphenyl)-3-methoxybutanamide
CID 107805124
4-amino-3-methoxy-N-(3-methylphenyl)butanamide
CID 103154212
4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
CID 120587425
2-[(4-amino-3-methoxybutanoyl)amino]-N,N-dimethylbenzamide
CID 103154460
4-amino-N-(2-ethylsulfonylphenyl)-3-methoxybutanamide
CID 103154459
4-amino-3-methoxy-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 120588215

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(2-methyl-4-phenylsulfanylphenyl)butanamide?
The IUPAC name of 4-amino-3-methoxy-N-(2-methyl-4-phenylsulfanylphenyl)butanamide (CID 120590312) is 4-amino-3-methoxy-N-(2-methyl-4-phenylsulfanylphenyl)butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(2-methyl-4-phenylsulfanylphenyl)butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-(2-methyl-4-phenylsulfanylphenyl)butanamide is COC(CN)CC(=O)Nc1ccc(Sc2ccccc2)cc1C.
What is the InChIKey of 4-amino-3-methoxy-N-(2-methyl-4-phenylsulfanylphenyl)butanamide?
The InChIKey is UDKCZOSZFHXADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-13-10-16(23-15-6-4-3-5-7-15)8-9-17(13)20-18(21)11-14(12-19)22-2/h3-10,14H,11-12,19H2,1-2H3,(H,20,21).
What are the key properties of 4-amino-3-methoxy-N-(2-methyl-4-phenylsulfanylphenyl)butanamide?
4-amino-3-methoxy-N-(2-methyl-4-phenylsulfanylphenyl)butanamide has a molecular weight of 330.45 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(2-methyl-4-phenylsulfanylphenyl)butanamide is sourced from PubChem (CID 120590312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).