N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-ylphenyl)methyl]acetamide

C25H29NO2S — CID 162652497

IUPACN-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-ylphenyl)methyl]acetamide
SMILESCCCc1ccc(OCC(=O)N(Cc2cccc(-c3cccs3)c2)C(C)C)cc1
InChIInChI=1S/C25H29NO2S/c1-4-7-20-11-13-23(14-12-20)28-18-25(27)26(19(2)3)17-21-8-5-9-22(16-21)24-10-6-15-29-24/h5-6,8-16,19H,4,7,17-18H2,1-3H3
InChIKeyQINGHGNZDCNZAH-UHFFFAOYSA-N
MW407.58 g/mol
LogP6.18
Rot. Bonds9

About N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-ylphenyl)methyl]acetamide

N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-ylphenyl)methyl]acetamide (PubChem CID 162652497) has the molecular formula C25H29NO2S and a molecular weight of 407.58 g/mol. Its IUPAC name is N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-ylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-ylphenyl)methyl]acetamide
PubChem CID162652497
Molecular FormulaC25H29NO2S
Molecular Weight407.58 g/mol
Exact Mass407.19
IUPAC NameN-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-ylphenyl)methyl]acetamide
SMILESCCCc1ccc(OCC(=O)N(Cc2cccc(-c3cccs3)c2)C(C)C)cc1
InChIInChI=1S/C25H29NO2S/c1-4-7-20-11-13-23(14-12-20)28-18-25(27)26(19(2)3)17-21-8-5-9-22(16-21)24-10-6-15-29-24/h5-6,8-16,19H,4,7,17-18H2,1-3H3
InChIKeyQINGHGNZDCNZAH-UHFFFAOYSA-N
XLogP6.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.58
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-ylphenyl)methyl]acetamide?
The IUPAC name of N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-ylphenyl)methyl]acetamide (CID 162652497) is N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-ylphenyl)methyl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-ylphenyl)methyl]acetamide?
The canonical SMILES for N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-ylphenyl)methyl]acetamide is CCCc1ccc(OCC(=O)N(Cc2cccc(-c3cccs3)c2)C(C)C)cc1.
What is the InChIKey of N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-ylphenyl)methyl]acetamide?
The InChIKey is QINGHGNZDCNZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2S/c1-4-7-20-11-13-23(14-12-20)28-18-25(27)26(19(2)3)17-21-8-5-9-22(16-21)24-10-6-15-29-24/h5-6,8-16,19H,4,7,17-18H2,1-3H3.
What are the key properties of N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-ylphenyl)methyl]acetamide?
N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-ylphenyl)methyl]acetamide has a molecular weight of 407.58 g/mol, XLogP of 6.18, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-thiophen-2-ylphenyl)methyl]acetamide is sourced from PubChem (CID 162652497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).