4-[(4-nitrophenoxy)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide

C24H18N2O4S — CID 19497084

IUPAC4-[(4-nitrophenoxy)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1cc(COc2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C24H18N2O4S/c27-24(25-20-8-6-19(7-9-20)18-4-2-1-3-5-18)23-14-17(16-31-23)15-30-22-12-10-21(11-13-22)26(28)29/h1-14,16H,15H2,(H,25,27)
InChIKeyPTDYMIKCCGIXJE-UHFFFAOYSA-N
MW430.49 g/mol
LogP6.15
Rot. Bonds7

About 4-[(4-nitrophenoxy)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide

4-[(4-nitrophenoxy)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide (PubChem CID 19497084) has the molecular formula C24H18N2O4S and a molecular weight of 430.49 g/mol. Its IUPAC name is 4-[(4-nitrophenoxy)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-nitrophenoxy)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide
PubChem CID19497084
Molecular FormulaC24H18N2O4S
Molecular Weight430.49 g/mol
Exact Mass430.10
IUPAC Name4-[(4-nitrophenoxy)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1cc(COc2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C24H18N2O4S/c27-24(25-20-8-6-19(7-9-20)18-4-2-1-3-5-18)23-14-17(16-31-23)15-30-22-12-10-21(11-13-22)26(28)29/h1-14,16H,15H2,(H,25,27)
InChIKeyPTDYMIKCCGIXJE-UHFFFAOYSA-N
XLogP6.15
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.49
LogP ≤ 56.15
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-(4-methylphenyl)-4-[(4-nitrophenoxy)methyl]thiophene-2-carboxamide
CID 19500834
4-[(4-nitrophenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 19497034
N-(2-chloro-5-nitrophenyl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490913
4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19469454
1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea
CID 2956271
4-(phenoxymethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19491015
N-(2-methoxy-4-nitrophenyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19498978
N-(3-fluoro-4-methylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490853
N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 3114321
(4-benzylpiperazin-1-yl)-[4-[(4-nitrophenoxy)methyl]thiophen-2-yl]methanone
CID 19497037
N-(1-methylpiperidin-4-yl)-4-[(4-nitrophenoxy)methyl]thiophene-2-carboxamide
CID 19500840
N-(2-chloro-4-nitrophenyl)-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19505163

Frequently Asked Questions

What is the IUPAC name of 4-[(4-nitrophenoxy)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide?
The IUPAC name of 4-[(4-nitrophenoxy)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide (CID 19497084) is 4-[(4-nitrophenoxy)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-nitrophenoxy)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(4-nitrophenoxy)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide is O=C(Nc1ccc(-c2ccccc2)cc1)c1cc(COc2ccc([N+](=O)[O-])cc2)cs1.
What is the InChIKey of 4-[(4-nitrophenoxy)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide?
The InChIKey is PTDYMIKCCGIXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4S/c27-24(25-20-8-6-19(7-9-20)18-4-2-1-3-5-18)23-14-17(16-31-23)15-30-22-12-10-21(11-13-22)26(28)29/h1-14,16H,15H2,(H,25,27).
What are the key properties of 4-[(4-nitrophenoxy)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide?
4-[(4-nitrophenoxy)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide has a molecular weight of 430.49 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-nitrophenoxy)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 19497084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).