3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide

C19H24N2O3S — CID 118762060

IUPAC3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccc(C)s2)C2CC2)cc1OCCN
InChIInChI=1S/C19H24N2O3S/c1-13-3-7-16(25-13)12-21(15-5-6-15)19(22)14-4-8-17(23-2)18(11-14)24-10-9-20/h3-4,7-8,11,15H,5-6,9-10,12,20H2,1-2H3
InChIKeyYTZHPPLFLSLUPI-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.21
Rot. Bonds8

About 3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide

3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide (PubChem CID 118762060) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide
PubChem CID118762060
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccc(C)s2)C2CC2)cc1OCCN
InChIInChI=1S/C19H24N2O3S/c1-13-3-7-16(25-13)12-21(15-5-6-15)19(22)14-4-8-17(23-2)18(11-14)24-10-9-20/h3-4,7-8,11,15H,5-6,9-10,12,20H2,1-2H3
InChIKeyYTZHPPLFLSLUPI-UHFFFAOYSA-N
XLogP3.21
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide (CID 118762060) is 3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide is COc1ccc(C(=O)N(Cc2ccc(C)s2)C2CC2)cc1OCCN.
What is the InChIKey of 3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is YTZHPPLFLSLUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-13-3-7-16(25-13)12-21(15-5-6-15)19(22)14-4-8-17(23-2)18(11-14)24-10-9-20/h3-4,7-8,11,15H,5-6,9-10,12,20H2,1-2H3.
What are the key properties of 3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide?
3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 360.48 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 118762060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).