N-(2-methoxy-4-nitrophenyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide

C23H18N2O5S — CID 19498978

IUPACN-(2-methoxy-4-nitrophenyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(COc2ccc3ccccc3c2)cs1
InChIInChI=1S/C23H18N2O5S/c1-29-21-12-18(25(27)28)7-9-20(21)24-23(26)22-10-15(14-31-22)13-30-19-8-6-16-4-2-3-5-17(16)11-19/h2-12,14H,13H2,1H3,(H,24,26)
InChIKeyFKYVVCVEKIVFNV-UHFFFAOYSA-N
MW434.47 g/mol
LogP5.65
Rot. Bonds7

About N-(2-methoxy-4-nitrophenyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide

N-(2-methoxy-4-nitrophenyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide (PubChem CID 19498978) has the molecular formula C23H18N2O5S and a molecular weight of 434.47 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
PubChem CID19498978
Molecular FormulaC23H18N2O5S
Molecular Weight434.47 g/mol
Exact Mass434.09
IUPAC NameN-(2-methoxy-4-nitrophenyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(COc2ccc3ccccc3c2)cs1
InChIInChI=1S/C23H18N2O5S/c1-29-21-12-18(25(27)28)7-9-20(21)24-23(26)22-10-15(14-31-22)13-30-19-8-6-16-4-2-3-5-17(16)11-19/h2-12,14H,13H2,1H3,(H,24,26)
InChIKeyFKYVVCVEKIVFNV-UHFFFAOYSA-N
XLogP5.65
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.47
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)thiophene-2-carboxamide
CID 19505427
N-(2-chloro-5-nitrophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500938
N-(2-chloro-5-nitrophenyl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490913
N-(2-chloro-4-nitrophenyl)-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19505163
4-[(4-nitrophenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 19497034
4-[(3-chlorophenoxy)methyl]-N-(4-methoxy-2-nitrophenyl)thiophene-2-carboxamide
CID 19505150
4-[(4-nitrophenoxy)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide
CID 19497084
N-(4-nitro-2-phenylmethoxyphenyl)naphthalene-2-carboxamide
CID 24807044
N-(4-methylphenyl)-4-[(4-nitrophenoxy)methyl]thiophene-2-carboxamide
CID 19500834
4-[(2-chloro-5-methylphenoxy)methyl]-N-(2-chloro-4-nitrophenyl)thiophene-2-carboxamide
CID 19488811
N-(2-chloro-5-nitrophenyl)-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19495064
N-(2-chloro-5-nitrophenyl)-4-[(2,6-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19488613

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide (CID 19498978) is N-(2-methoxy-4-nitrophenyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide is COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(COc2ccc3ccccc3c2)cs1.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?
The InChIKey is FKYVVCVEKIVFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O5S/c1-29-21-12-18(25(27)28)7-9-20(21)24-23(26)22-10-15(14-31-22)13-30-19-8-6-16-4-2-3-5-17(16)11-19/h2-12,14H,13H2,1H3,(H,24,26).
What are the key properties of N-(2-methoxy-4-nitrophenyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?
N-(2-methoxy-4-nitrophenyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide is sourced from PubChem (CID 19498978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).