N-cyclopropyl-2-[[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide

C19H23N3O2S — CID 8718771

IUPACN-cyclopropyl-2-[[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide
SMILESCCN(CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1cccs1
InChIInChI=1S/C19H23N3O2S/c1-2-22(12-15-6-5-11-25-15)13-18(23)21-17-8-4-3-7-16(17)19(24)20-14-9-10-14/h3-8,11,14H,2,9-10,12-13H2,1H3,(H,20,24)(H,21,23)
InChIKeySDNXMXHFNYWJHE-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.10
Rot. Bonds8

About N-cyclopropyl-2-[[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide

N-cyclopropyl-2-[[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide (PubChem CID 8718771) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide
PubChem CID8718771
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-cyclopropyl-2-[[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide
SMILESCCN(CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1cccs1
InChIInChI=1S/C19H23N3O2S/c1-2-22(12-15-6-5-11-25-15)13-18(23)21-17-8-4-3-7-16(17)19(24)20-14-9-10-14/h3-8,11,14H,2,9-10,12-13H2,1H3,(H,20,24)(H,21,23)
InChIKeySDNXMXHFNYWJHE-UHFFFAOYSA-N
XLogP3.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide (CID 8718771) is N-cyclopropyl-2-[[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide is CCN(CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1cccs1.
What is the InChIKey of N-cyclopropyl-2-[[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide?
The InChIKey is SDNXMXHFNYWJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-2-22(12-15-6-5-11-25-15)13-18(23)21-17-8-4-3-7-16(17)19(24)20-14-9-10-14/h3-8,11,14H,2,9-10,12-13H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-cyclopropyl-2-[[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide?
N-cyclopropyl-2-[[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide has a molecular weight of 357.48 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide is sourced from PubChem (CID 8718771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).