3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylbenzamide

C16H20N2OS — CID 43696642

IUPAC3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylbenzamide
SMILESCc1cc(C(C)NC(=O)c2ccc(C)c(N)c2)c(C)s1
InChIInChI=1S/C16H20N2OS/c1-9-5-6-13(8-15(9)17)16(19)18-11(3)14-7-10(2)20-12(14)4/h5-8,11H,17H2,1-4H3,(H,18,19)
InChIKeyPFPKTEFRBVPRIW-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.75
Rot. Bonds3

About 3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylbenzamide

3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylbenzamide (PubChem CID 43696642) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylbenzamide
PubChem CID43696642
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylbenzamide
SMILESCc1cc(C(C)NC(=O)c2ccc(C)c(N)c2)c(C)s1
InChIInChI=1S/C16H20N2OS/c1-9-5-6-13(8-15(9)17)16(19)18-11(3)14-7-10(2)20-12(14)4/h5-8,11H,17H2,1-4H3,(H,18,19)
InChIKeyPFPKTEFRBVPRIW-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
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

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoro-3-methylbenzamide
CID 63212879
6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-carboxamide
CID 62073045
4-(aminomethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide;hydrochloride
CID 119287416
3-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702022
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylbenzamide
CID 61193208
3-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-4-methylbenzamide
CID 113266675
3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-2-carboxamide
CID 104741138
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
N-[(2R)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 39167644
2-[3-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]phenyl]acetic acid
CID 146130625
3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide
CID 43533090
methyl (2S)-2-[(3-amino-4-methylbenzoyl)amino]-3-methylbutanoate
CID 61142860

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylbenzamide?
The IUPAC name of 3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylbenzamide (CID 43696642) is 3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylbenzamide?
The canonical SMILES for 3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylbenzamide is Cc1cc(C(C)NC(=O)c2ccc(C)c(N)c2)c(C)s1.
What is the InChIKey of 3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylbenzamide?
The InChIKey is PFPKTEFRBVPRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-9-5-6-13(8-15(9)17)16(19)18-11(3)14-7-10(2)20-12(14)4/h5-8,11H,17H2,1-4H3,(H,18,19).
What are the key properties of 3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylbenzamide?
3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylbenzamide has a molecular weight of 288.42 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylbenzamide is sourced from PubChem (CID 43696642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).