5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]benzamide

C22H24N2O2S — CID 177380703

IUPAC5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]benzamide
SMILESCc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2cccs2)c1
InChIInChI=1S/C22H24N2O2S/c1-15-8-9-19(26-11-10-23)14-20(15)22(25)24-16(2)17-5-3-6-18(13-17)21-7-4-12-27-21/h3-9,12-14,16H,10-11,23H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyLLJKEZREHFDXLQ-MRXNPFEDSA-N
MW380.51 g/mol
LogP4.55
Rot. Bonds7

About 5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]benzamide

5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]benzamide (PubChem CID 177380703) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]benzamide
PubChem CID177380703
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]benzamide
SMILESCc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2cccs2)c1
InChIInChI=1S/C22H24N2O2S/c1-15-8-9-19(26-11-10-23)14-20(15)22(25)24-16(2)17-5-3-6-18(13-17)21-7-4-12-27-21/h3-9,12-14,16H,10-11,23H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyLLJKEZREHFDXLQ-MRXNPFEDSA-N
XLogP4.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]benzamide?
The IUPAC name of 5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]benzamide (CID 177380703) is 5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]benzamide?
The canonical SMILES for 5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]benzamide is Cc1ccc(OCCN)cc1C(=O)N[C@H](C)c1cccc(-c2cccs2)c1.
What is the InChIKey of 5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]benzamide?
The InChIKey is LLJKEZREHFDXLQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-15-8-9-19(26-11-10-23)14-20(15)22(25)24-16(2)17-5-3-6-18(13-17)21-7-4-12-27-21/h3-9,12-14,16H,10-11,23H2,1-2H3,(H,24,25)/t16-/m1/s1.
What are the key properties of 5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]benzamide?
5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]benzamide has a molecular weight of 380.51 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-2-methyl-N-[(1R)-1-(3-thiophen-2-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 177380703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).