2-amino-5-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide

C13H20N2O2S — CID 63983695

IUPAC2-amino-5-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide
SMILESCOc1ccc(N)c(C(=O)NCC(C)CSC)c1
InChIInChI=1S/C13H20N2O2S/c1-9(8-18-3)7-15-13(16)11-6-10(17-2)4-5-12(11)14/h4-6,9H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyNPKBNTCYTFQLQE-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.01
Rot. Bonds6

About 2-amino-5-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide

2-amino-5-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide (PubChem CID 63983695) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide
PubChem CID63983695
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-amino-5-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide
SMILESCOc1ccc(N)c(C(=O)NCC(C)CSC)c1
InChIInChI=1S/C13H20N2O2S/c1-9(8-18-3)7-15-13(16)11-6-10(17-2)4-5-12(11)14/h4-6,9H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyNPKBNTCYTFQLQE-UHFFFAOYSA-N
XLogP2.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2,2-difluoroethyl)-5-methoxybenzamide
CID 115405286
2-amino-N-(3-ethyl-2-hydroxypentyl)-5-methoxybenzamide
CID 106284093
2-amino-N-(3-hydroxybutyl)-5-methoxybenzamide
CID 64927216
5-amino-2,4-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 102705609
N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide
CID 119996618
2-amino-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 60954479
2-amino-5-methoxy-N-propylbenzamide
CID 60954595
3-amino-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63982400
5-methoxy-2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]benzoic acid
CID 115412279
2-amino-5-methoxy-N-(3-methoxypropyl)benzamide
CID 54878569
methyl 2-[(2-amino-5-methoxybenzoyl)amino]propanoate
CID 54959759
5-[(2-amino-5-methoxybenzoyl)amino]-2-methylpentanoic acid
CID 104685620

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
The IUPAC name of 2-amino-5-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide (CID 63983695) is 2-amino-5-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide.
What is the SMILES notation for 2-amino-5-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
The canonical SMILES for 2-amino-5-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide is COc1ccc(N)c(C(=O)NCC(C)CSC)c1.
What is the InChIKey of 2-amino-5-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
The InChIKey is NPKBNTCYTFQLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9(8-18-3)7-15-13(16)11-6-10(17-2)4-5-12(11)14/h4-6,9H,7-8,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-5-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
2-amino-5-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide has a molecular weight of 268.38 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide is sourced from PubChem (CID 63983695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).