4-amino-N-(3-methoxyphenyl)-4-sulfanylidenebutanamide

C11H14N2O2S — CID 94264248

IUPAC4-amino-N-(3-methoxyphenyl)-4-sulfanylidenebutanamide
SMILESCOc1cccc(NC(=O)CCC(N)=S)c1
InChIInChI=1S/C11H14N2O2S/c1-15-9-4-2-3-8(7-9)13-11(14)6-5-10(12)16/h2-4,7H,5-6H2,1H3,(H2,12,16)(H,13,14)
InChIKeyDWIZIJYSSCGTDZ-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.70
Rot. Bonds5

About 4-amino-N-(3-methoxyphenyl)-4-sulfanylidenebutanamide

4-amino-N-(3-methoxyphenyl)-4-sulfanylidenebutanamide (PubChem CID 94264248) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-amino-N-(3-methoxyphenyl)-4-sulfanylidenebutanamide.

Molecular Properties

Compound Name4-amino-N-(3-methoxyphenyl)-4-sulfanylidenebutanamide
PubChem CID94264248
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name4-amino-N-(3-methoxyphenyl)-4-sulfanylidenebutanamide
SMILESCOc1cccc(NC(=O)CCC(N)=S)c1
InChIInChI=1S/C11H14N2O2S/c1-15-9-4-2-3-8(7-9)13-11(14)6-5-10(12)16/h2-4,7H,5-6H2,1H3,(H2,12,16)(H,13,14)
InChIKeyDWIZIJYSSCGTDZ-UHFFFAOYSA-N
XLogP1.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
4-hydroxy-N-(3-methoxyphenyl)pentanamide
CID 79017987
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CID 82682498
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
cobalt(2+);bis(2-(3-methoxyanilino)-2-oxoethanethiolate)
CID 6100941
3-amino-N-(3-methoxyphenyl)-3-methylbutanamide
CID 64683747
N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 110468427
N-(3-methoxyphenyl)-4-phenylbutanamide
CID 683926
5-[[2-(3-methoxyanilino)-2-oxoethyl]amino]pentanamide
CID 106237534
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
[2-(3-methoxyanilino)-2-oxoethyl] 4-(4-chloroanilino)-4-oxobutanoate
CID 17257762
N-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18154986

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methoxyphenyl)-4-sulfanylidenebutanamide?
The IUPAC name of 4-amino-N-(3-methoxyphenyl)-4-sulfanylidenebutanamide (CID 94264248) is 4-amino-N-(3-methoxyphenyl)-4-sulfanylidenebutanamide.
What is the SMILES notation for 4-amino-N-(3-methoxyphenyl)-4-sulfanylidenebutanamide?
The canonical SMILES for 4-amino-N-(3-methoxyphenyl)-4-sulfanylidenebutanamide is COc1cccc(NC(=O)CCC(N)=S)c1.
What is the InChIKey of 4-amino-N-(3-methoxyphenyl)-4-sulfanylidenebutanamide?
The InChIKey is DWIZIJYSSCGTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-15-9-4-2-3-8(7-9)13-11(14)6-5-10(12)16/h2-4,7H,5-6H2,1H3,(H2,12,16)(H,13,14).
What are the key properties of 4-amino-N-(3-methoxyphenyl)-4-sulfanylidenebutanamide?
4-amino-N-(3-methoxyphenyl)-4-sulfanylidenebutanamide has a molecular weight of 238.31 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methoxyphenyl)-4-sulfanylidenebutanamide is sourced from PubChem (CID 94264248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).