5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide

C16H20N2OS — CID 102705675

IUPAC5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCc2cc(C)c(C)s2)cc1N
InChIInChI=1S/C16H20N2OS/c1-9-6-13(20-12(9)4)8-18-16(19)14-7-15(17)11(3)5-10(14)2/h5-7H,8,17H2,1-4H3,(H,18,19)
InChIKeyMVHXLEMEVYVBFJ-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.49
Rot. Bonds3

About 5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide

5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide (PubChem CID 102705675) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide
PubChem CID102705675
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCc2cc(C)c(C)s2)cc1N
InChIInChI=1S/C16H20N2OS/c1-9-6-13(20-12(9)4)8-18-16(19)14-7-15(17)11(3)5-10(14)2/h5-7H,8,17H2,1-4H3,(H,18,19)
InChIKeyMVHXLEMEVYVBFJ-UHFFFAOYSA-N
XLogP3.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-diamino-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 65241205
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide
CID 65244086
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-hydroxybenzamide
CID 107075489
3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-fluorobenzamide
CID 65241104
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-hydrazinylbenzamide
CID 65245855
2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methylbenzamide
CID 65241605
3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methoxybenzamide
CID 65241851
4-amino-3,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 82832446
5-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylbenzamide
CID 102705730
3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzamide
CID 104852791
3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 107999567
2,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 114918600

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide (CID 102705675) is 5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide is Cc1cc(C)c(C(=O)NCc2cc(C)c(C)s2)cc1N.
What is the InChIKey of 5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide?
The InChIKey is MVHXLEMEVYVBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-9-6-13(20-12(9)4)8-18-16(19)14-7-15(17)11(3)5-10(14)2/h5-7H,8,17H2,1-4H3,(H,18,19).
What are the key properties of 5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide?
5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide has a molecular weight of 288.42 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 102705675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).