N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(3,4-dimethoxyphenyl)acetamide

C14H20N2O3S — CID 61121082

IUPACN-(1-amino-1-sulfanylidenebutan-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCCC(NC(=O)Cc1ccc(OC)c(OC)c1)C(N)=S
InChIInChI=1S/C14H20N2O3S/c1-4-10(14(15)20)16-13(17)8-9-5-6-11(18-2)12(7-9)19-3/h5-7,10H,4,8H2,1-3H3,(H2,15,20)(H,16,17)
InChIKeySGFHCTWJWMDKDA-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.43
Rot. Bonds7

About N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(3,4-dimethoxyphenyl)acetamide

N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 61121082) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenebutan-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID61121082
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(1-amino-1-sulfanylidenebutan-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCCC(NC(=O)Cc1ccc(OC)c(OC)c1)C(N)=S
InChIInChI=1S/C14H20N2O3S/c1-4-10(14(15)20)16-13(17)8-9-5-6-11(18-2)12(7-9)19-3/h5-7,10H,4,8H2,1-3H3,(H2,15,20)(H,16,17)
InChIKeySGFHCTWJWMDKDA-UHFFFAOYSA-N
XLogP1.43
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminopentan-3-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 62651972
1-(3,4-dimethoxyphenyl)-3-methylpentan-2-one
CID 61055069
N-[(2S)-butan-2-yl]-2-(3-methoxy-4-propoxyphenyl)acetamide
CID 2220291
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236029
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide
CID 108542599
N-(1-amino-1-sulfanylidenebutan-2-yl)-3,4,5-trimethoxybenzamide
CID 61119501
N-(1-bromo-3-methylbutan-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 114316268
2-(3,4-dimethoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26883011
6-[[2-(3,4-dimethoxyphenyl)acetyl]amino]octanoic acid
CID 57034578
2-[(3,4-dimethoxyphenyl)methylamino]butanoic acid
CID 64668160
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenyl)acetamide
CID 133201762
N-(1-bromo-3-methoxypropan-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 106184806

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(3,4-dimethoxyphenyl)acetamide (CID 61121082) is N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(3,4-dimethoxyphenyl)acetamide is CCC(NC(=O)Cc1ccc(OC)c(OC)c1)C(N)=S.
What is the InChIKey of N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is SGFHCTWJWMDKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-4-10(14(15)20)16-13(17)8-9-5-6-11(18-2)12(7-9)19-3/h5-7,10H,4,8H2,1-3H3,(H2,15,20)(H,16,17).
What are the key properties of N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(3,4-dimethoxyphenyl)acetamide?
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 296.39 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 61121082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).