N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(ethylamino)-5-methylbenzamide

C17H22N2OS — CID 65245704

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-2-(ethylamino)-5-methylbenzamide
SMILESCCNc1ccc(C)cc1C(=O)NCc1cc(C)c(C)s1
InChIInChI=1S/C17H22N2OS/c1-5-18-16-7-6-11(2)8-15(16)17(20)19-10-14-9-12(3)13(4)21-14/h6-9,18H,5,10H2,1-4H3,(H,19,20)
InChIKeyGIHMKZQNVKMDNU-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.04
Rot. Bonds5

About N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(ethylamino)-5-methylbenzamide

N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(ethylamino)-5-methylbenzamide (PubChem CID 65245704) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(ethylamino)-5-methylbenzamide.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-(ethylamino)-5-methylbenzamide
PubChem CID65245704
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-(ethylamino)-5-methylbenzamide
SMILESCCNc1ccc(C)cc1C(=O)NCc1cc(C)c(C)s1
InChIInChI=1S/C17H22N2OS/c1-5-18-16-7-6-11(2)8-15(16)17(20)19-10-14-9-12(3)13(4)21-14/h6-9,18H,5,10H2,1-4H3,(H,19,20)
InChIKeyGIHMKZQNVKMDNU-UHFFFAOYSA-N
XLogP4.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-5-methyl-N-propylbenzamide
CID 62509654
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CID 62510285
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CID 63824195
2-(ethylamino)-5-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106383389
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-hydroxy-3-methylbenzamide
CID 65244086
5-chloro-2-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 62181465
2-(ethylamino)-5-methyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106342518
5-methyl-2-(propylamino)-N-(thiophen-2-ylmethyl)benzamide
CID 62510534
5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide
CID 102705675
N-[2-(dimethylamino)propyl]-2-(ethylamino)-5-methylbenzamide
CID 62508874
2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-methylbenzamide
CID 65241605
N-ethyl-2-(ethylamino)-N,5-dimethylbenzamide
CID 62511241

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(ethylamino)-5-methylbenzamide?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(ethylamino)-5-methylbenzamide (CID 65245704) is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(ethylamino)-5-methylbenzamide.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(ethylamino)-5-methylbenzamide?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(ethylamino)-5-methylbenzamide is CCNc1ccc(C)cc1C(=O)NCc1cc(C)c(C)s1.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(ethylamino)-5-methylbenzamide?
The InChIKey is GIHMKZQNVKMDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-5-18-16-7-6-11(2)8-15(16)17(20)19-10-14-9-12(3)13(4)21-14/h6-9,18H,5,10H2,1-4H3,(H,19,20).
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(ethylamino)-5-methylbenzamide?
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(ethylamino)-5-methylbenzamide has a molecular weight of 302.44 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(ethylamino)-5-methylbenzamide is sourced from PubChem (CID 65245704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).