N-[2-(diethylamino)ethyl]-4-[(2-thiophen-3-ylacetyl)amino]benzamide

C19H25N3O2S — CID 9117170

IUPACN-[2-(diethylamino)ethyl]-4-[(2-thiophen-3-ylacetyl)amino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)Cc2ccsc2)cc1
InChIInChI=1S/C19H25N3O2S/c1-3-22(4-2)11-10-20-19(24)16-5-7-17(8-6-16)21-18(23)13-15-9-12-25-14-15/h5-9,12,14H,3-4,10-11,13H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyURAJDKOEWVMEOZ-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.00
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-4-[(2-thiophen-3-ylacetyl)amino]benzamide

N-[2-(diethylamino)ethyl]-4-[(2-thiophen-3-ylacetyl)amino]benzamide (PubChem CID 9117170) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-[(2-thiophen-3-ylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-[(2-thiophen-3-ylacetyl)amino]benzamide
PubChem CID9117170
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-[2-(diethylamino)ethyl]-4-[(2-thiophen-3-ylacetyl)amino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)Cc2ccsc2)cc1
InChIInChI=1S/C19H25N3O2S/c1-3-22(4-2)11-10-20-19(24)16-5-7-17(8-6-16)21-18(23)13-15-9-12-25-14-15/h5-9,12,14H,3-4,10-11,13H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyURAJDKOEWVMEOZ-UHFFFAOYSA-N
XLogP3.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-[(2-thiophen-3-ylacetyl)amino]benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-[(2-thiophen-3-ylacetyl)amino]benzamide (CID 9117170) is N-[2-(diethylamino)ethyl]-4-[(2-thiophen-3-ylacetyl)amino]benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-[(2-thiophen-3-ylacetyl)amino]benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-[(2-thiophen-3-ylacetyl)amino]benzamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)Cc2ccsc2)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-[(2-thiophen-3-ylacetyl)amino]benzamide?
The InChIKey is URAJDKOEWVMEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-3-22(4-2)11-10-20-19(24)16-5-7-17(8-6-16)21-18(23)13-15-9-12-25-14-15/h5-9,12,14H,3-4,10-11,13H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-[2-(diethylamino)ethyl]-4-[(2-thiophen-3-ylacetyl)amino]benzamide?
N-[2-(diethylamino)ethyl]-4-[(2-thiophen-3-ylacetyl)amino]benzamide has a molecular weight of 359.50 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-[(2-thiophen-3-ylacetyl)amino]benzamide is sourced from PubChem (CID 9117170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).