N-cyclopropyl-2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]benzamide

C19H23N3O2S — CID 9403530

IUPACN-cyclopropyl-2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]benzamide
SMILESCc1ccsc1CN(C)CC(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C19H23N3O2S/c1-13-9-10-25-17(13)11-22(2)12-18(23)21-16-6-4-3-5-15(16)19(24)20-14-7-8-14/h3-6,9-10,14H,7-8,11-12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyADJQCBWWGASFCX-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.02
Rot. Bonds7

About N-cyclopropyl-2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]benzamide

N-cyclopropyl-2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]benzamide (PubChem CID 9403530) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]benzamide
PubChem CID9403530
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-cyclopropyl-2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]benzamide
SMILESCc1ccsc1CN(C)CC(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C19H23N3O2S/c1-13-9-10-25-17(13)11-22(2)12-18(23)21-16-6-4-3-5-15(16)19(24)20-14-7-8-14/h3-6,9-10,14H,7-8,11-12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyADJQCBWWGASFCX-UHFFFAOYSA-N
XLogP3.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.02
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-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]benzamide (CID 9403530) is N-cyclopropyl-2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]benzamide is Cc1ccsc1CN(C)CC(=O)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]benzamide?
The InChIKey is ADJQCBWWGASFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-13-9-10-25-17(13)11-22(2)12-18(23)21-16-6-4-3-5-15(16)19(24)20-14-7-8-14/h3-6,9-10,14H,7-8,11-12H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-cyclopropyl-2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]benzamide?
N-cyclopropyl-2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]benzamide has a molecular weight of 357.48 g/mol, XLogP of 3.02, 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-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 9403530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).