5-chloro-2-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]benzamide

C15H17ClN2OS — CID 62181465

IUPAC5-chloro-2-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)NCc1ccc(C)s1
InChIInChI=1S/C15H17ClN2OS/c1-3-17-14-7-5-11(16)8-13(14)15(19)18-9-12-6-4-10(2)20-12/h4-8,17H,3,9H2,1-2H3,(H,18,19)
InChIKeyVTFJWHZSLFLKMC-UHFFFAOYSA-N
MW308.83 g/mol
LogP4.07
Rot. Bonds5

About 5-chloro-2-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]benzamide

5-chloro-2-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]benzamide (PubChem CID 62181465) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 5-chloro-2-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]benzamide
PubChem CID62181465
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name5-chloro-2-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)NCc1ccc(C)s1
InChIInChI=1S/C15H17ClN2OS/c1-3-17-14-7-5-11(16)8-13(14)15(19)18-9-12-6-4-10(2)20-12/h4-8,17H,3,9H2,1-2H3,(H,18,19)
InChIKeyVTFJWHZSLFLKMC-UHFFFAOYSA-N
XLogP4.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-iodo-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 47227109
5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide
CID 62173260
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(ethylamino)-5-methylbenzamide
CID 65245704
5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-2-(ethylamino)benzamide
CID 62178349
3,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridazine-4-carboxamide
CID 114038484
5-chloro-N-(4-chlorophenyl)-2-(ethylamino)benzamide
CID 63501473
5-chloro-2-(ethylamino)-N-(4-methylphenyl)benzamide
CID 62165915
5-chloro-N-(cyclohexylmethyl)-2-(ethylamino)benzamide
CID 63500418
5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide
CID 62169124
2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 55021338
5-chloro-2-(ethylamino)-N-(2-fluoro-5-methylphenyl)benzamide
CID 62166155
5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)benzamide
CID 62185060

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 5-chloro-2-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]benzamide (CID 62181465) is 5-chloro-2-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]benzamide is CCNc1ccc(Cl)cc1C(=O)NCc1ccc(C)s1.
What is the InChIKey of 5-chloro-2-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is VTFJWHZSLFLKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-3-17-14-7-5-11(16)8-13(14)15(19)18-9-12-6-4-10(2)20-12/h4-8,17H,3,9H2,1-2H3,(H,18,19).
What are the key properties of 5-chloro-2-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]benzamide?
5-chloro-2-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 308.83 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 62181465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).