2-amino-6-ethoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide

C16H20N2O2S — CID 81396491

IUPAC2-amino-6-ethoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCCOc1cccc(N)c1C(=O)N(C)Cc1sccc1C
InChIInChI=1S/C16H20N2O2S/c1-4-20-13-7-5-6-12(17)15(13)16(19)18(3)10-14-11(2)8-9-21-14/h5-9H,4,10,17H2,1-3H3
InChIKeyFVKHHSALIKWVTC-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.31
Rot. Bonds5

About 2-amino-6-ethoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide

2-amino-6-ethoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide (PubChem CID 81396491) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-amino-6-ethoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-6-ethoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
PubChem CID81396491
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-amino-6-ethoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCCOc1cccc(N)c1C(=O)N(C)Cc1sccc1C
InChIInChI=1S/C16H20N2O2S/c1-4-20-13-7-5-6-12(17)15(13)16(19)18(3)10-14-11(2)8-9-21-14/h5-9H,4,10,17H2,1-3H3
InChIKeyFVKHHSALIKWVTC-UHFFFAOYSA-N
XLogP3.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-2-oxoethoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 134031406
4-ethoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-nitrobenzamide
CID 9020526
5-ethoxy-4-methoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-nitrobenzamide
CID 51212673
4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 61106846
2-amino-6-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 81420408
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60651297
2-amino-6-ethoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112656484
2-methoxy-N,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 131946527
2-amino-6-ethoxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107733158
2-(2-acetamidophenoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 9017979
2-[methyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoic acid
CID 60953427

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 2-amino-6-ethoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide (CID 81396491) is 2-amino-6-ethoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 2-amino-6-ethoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 2-amino-6-ethoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide is CCOc1cccc(N)c1C(=O)N(C)Cc1sccc1C.
What is the InChIKey of 2-amino-6-ethoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is FVKHHSALIKWVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-4-20-13-7-5-6-12(17)15(13)16(19)18(3)10-14-11(2)8-9-21-14/h5-9H,4,10,17H2,1-3H3.
What are the key properties of 2-amino-6-ethoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
2-amino-6-ethoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 304.42 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 81396491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).