2-(4-nitrophenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide

C21H20N2O4S — CID 9012034

IUPAC2-(4-nitrophenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)N(CCc1ccccc1)Cc1cccs1
InChIInChI=1S/C21H20N2O4S/c24-21(16-27-19-10-8-18(9-11-19)23(25)26)22(15-20-7-4-14-28-20)13-12-17-5-2-1-3-6-17/h1-11,14H,12-13,15-16H2
InChIKeyFCSWTSPBBPZUPA-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.31
Rot. Bonds9

About 2-(4-nitrophenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide

2-(4-nitrophenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 9012034) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID9012034
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Name2-(4-nitrophenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)N(CCc1ccccc1)Cc1cccs1
InChIInChI=1S/C21H20N2O4S/c24-21(16-27-19-10-8-18(9-11-19)23(25)26)22(15-20-7-4-14-28-20)13-12-17-5-2-1-3-6-17/h1-11,14H,12-13,15-16H2
InChIKeyFCSWTSPBBPZUPA-UHFFFAOYSA-N
XLogP4.31
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-nitrophenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-(4-nitrophenoxy)-N-phenylacetamide
CID 41161693
2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 8808291
3-[4-[2-[benzyl(2-phenylethyl)amino]-2-oxoethoxy]phenyl]propanoic acid
CID 142845017
4-methoxy-3-nitro-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 9166650
2-(2-oxochromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 33122488
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-nitro-N-propan-2-ylbenzamide
CID 1059578
N-ethyl-2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67512148
N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
CID 78762396
2-(4-nitrophenoxy)-1-thiophen-2-ylethanone
CID 60625574
N-benzyl-4-nitro-N-(2-phenylethyl)benzamide
CID 26881227
2-(4-pyridin-2-yloxyphenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 31841903
1-(4-nitrophenoxy)-3-phenylpropan-2-one
CID 61031518

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide (CID 9012034) is 2-(4-nitrophenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)N(CCc1ccccc1)Cc1cccs1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is FCSWTSPBBPZUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c24-21(16-27-19-10-8-18(9-11-19)23(25)26)22(15-20-7-4-14-28-20)13-12-17-5-2-1-3-6-17/h1-11,14H,12-13,15-16H2.
What are the key properties of 2-(4-nitrophenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide?
2-(4-nitrophenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 396.47 g/mol, XLogP of 4.31, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 9012034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).