N-(1-amino-1-sulfanylidenepentan-3-yl)-2,4-dimethoxybenzamide

C14H20N2O3S — CID 62652163

IUPACN-(1-amino-1-sulfanylidenepentan-3-yl)-2,4-dimethoxybenzamide
SMILESCCC(CC(N)=S)NC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C14H20N2O3S/c1-4-9(7-13(15)20)16-14(17)11-6-5-10(18-2)8-12(11)19-3/h5-6,8-9H,4,7H2,1-3H3,(H2,15,20)(H,16,17)
InChIKeyZFNYPOSCLAGDDC-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.89
Rot. Bonds7

About N-(1-amino-1-sulfanylidenepentan-3-yl)-2,4-dimethoxybenzamide

N-(1-amino-1-sulfanylidenepentan-3-yl)-2,4-dimethoxybenzamide (PubChem CID 62652163) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepentan-3-yl)-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepentan-3-yl)-2,4-dimethoxybenzamide
PubChem CID62652163
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(1-amino-1-sulfanylidenepentan-3-yl)-2,4-dimethoxybenzamide
SMILESCCC(CC(N)=S)NC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C14H20N2O3S/c1-4-9(7-13(15)20)16-14(17)11-6-5-10(18-2)8-12(11)19-3/h5-6,8-9H,4,7H2,1-3H3,(H2,15,20)(H,16,17)
InChIKeyZFNYPOSCLAGDDC-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
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-amino-1-sulfanylidenepentan-3-yl)-2-fluoro-4-methoxybenzamide
CID 102883156
N-(1-aminobutan-2-yl)-2,4-dimethoxybenzamide
CID 63755359
N-(1-aminopentan-3-yl)-2,4-dimethoxybenzamide
CID 55101251
2-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43387212
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,4-dimethoxy-N-methylbenzamide
CID 63223316
N-(2-aminobutyl)-2,4-dimethoxybenzamide
CID 63731362
3-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43240643
N-(3-carbamothioylpentan-3-yl)-2,4-dimethoxybenzamide
CID 61120433
N-(1-aminobutan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 63754997
3-[(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid
CID 45461179
2-fluoro-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide
CID 103604548
N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepentan-3-yl)-2,4-dimethoxybenzamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepentan-3-yl)-2,4-dimethoxybenzamide (CID 62652163) is N-(1-amino-1-sulfanylidenepentan-3-yl)-2,4-dimethoxybenzamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepentan-3-yl)-2,4-dimethoxybenzamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepentan-3-yl)-2,4-dimethoxybenzamide is CCC(CC(N)=S)NC(=O)c1ccc(OC)cc1OC.
What is the InChIKey of N-(1-amino-1-sulfanylidenepentan-3-yl)-2,4-dimethoxybenzamide?
The InChIKey is ZFNYPOSCLAGDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-4-9(7-13(15)20)16-14(17)11-6-5-10(18-2)8-12(11)19-3/h5-6,8-9H,4,7H2,1-3H3,(H2,15,20)(H,16,17).
What are the key properties of N-(1-amino-1-sulfanylidenepentan-3-yl)-2,4-dimethoxybenzamide?
N-(1-amino-1-sulfanylidenepentan-3-yl)-2,4-dimethoxybenzamide has a molecular weight of 296.39 g/mol, XLogP of 1.89, 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-sulfanylidenepentan-3-yl)-2,4-dimethoxybenzamide is sourced from PubChem (CID 62652163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).