3-amino-4-methoxy-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide

C16H20N2O2S — CID 61116791

IUPAC3-amino-4-methoxy-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)N(C)C(C)c2ccc(C)s2)cc1N
InChIInChI=1S/C16H20N2O2S/c1-10-5-8-15(21-10)11(2)18(3)16(19)12-6-7-14(20-4)13(17)9-12/h5-9,11H,17H2,1-4H3
InChIKeyPGJQVWWXTTUHLT-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.48
Rot. Bonds4

About 3-amino-4-methoxy-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide

3-amino-4-methoxy-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide (PubChem CID 61116791) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
PubChem CID61116791
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-amino-4-methoxy-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)N(C)C(C)c2ccc(C)s2)cc1N
InChIInChI=1S/C16H20N2O2S/c1-10-5-8-15(21-10)11(2)18(3)16(19)12-6-7-14(20-4)13(17)9-12/h5-9,11H,17H2,1-4H3
InChIKeyPGJQVWWXTTUHLT-UHFFFAOYSA-N
XLogP3.48
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.48
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

3-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 81472617
4-bromo-3-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 81307886
3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109312
3-amino-4-methoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112656487
4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 55178601
N-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 95263497
3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64524839
3-amino-2-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 115930368
2-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
CID 60962460
3-amino-N,N-diethyl-4-methoxybenzamide
CID 16770695
5-bromo-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 61076317
3-amino-N-(2-amino-2-oxoethyl)-4-methoxy-N-propan-2-ylbenzamide
CID 43572598

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The IUPAC name of 3-amino-4-methoxy-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide (CID 61116791) is 3-amino-4-methoxy-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-4-methoxy-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-4-methoxy-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide is COc1ccc(C(=O)N(C)C(C)c2ccc(C)s2)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The InChIKey is PGJQVWWXTTUHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-10-5-8-15(21-10)11(2)18(3)16(19)12-6-7-14(20-4)13(17)9-12/h5-9,11H,17H2,1-4H3.
What are the key properties of 3-amino-4-methoxy-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
3-amino-4-methoxy-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide has a molecular weight of 304.42 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide is sourced from PubChem (CID 61116791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).