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

C18H21N3O2S — CID 8965093

IUPACN-cyclopropyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide
SMILESCN(CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1cccs1
InChIInChI=1S/C18H21N3O2S/c1-21(11-14-5-4-10-24-14)12-17(22)20-16-7-3-2-6-15(16)18(23)19-13-8-9-13/h2-7,10,13H,8-9,11-12H2,1H3,(H,19,23)(H,20,22)
InChIKeyHOOIZIBVPCVQIU-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.71
Rot. Bonds7

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

N-cyclopropyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide (PubChem CID 8965093) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide
PubChem CID8965093
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-cyclopropyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide
SMILESCN(CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1cccs1
InChIInChI=1S/C18H21N3O2S/c1-21(11-14-5-4-10-24-14)12-17(22)20-16-7-3-2-6-15(16)18(23)19-13-8-9-13/h2-7,10,13H,8-9,11-12H2,1H3,(H,19,23)(H,20,22)
InChIKeyHOOIZIBVPCVQIU-UHFFFAOYSA-N
XLogP2.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.71
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-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide (CID 8965093) is N-cyclopropyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide is CN(CC(=O)Nc1ccccc1C(=O)NC1CC1)Cc1cccs1.
What is the InChIKey of N-cyclopropyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide?
The InChIKey is HOOIZIBVPCVQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-21(11-14-5-4-10-24-14)12-17(22)20-16-7-3-2-6-15(16)18(23)19-13-8-9-13/h2-7,10,13H,8-9,11-12H2,1H3,(H,19,23)(H,20,22).
What are the key properties of N-cyclopropyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide?
N-cyclopropyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide has a molecular weight of 343.45 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide is sourced from PubChem (CID 8965093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).