N-(2-methoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide

C27H19N3O4S — CID 4843850

IUPACN-(2-methoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
SMILESCOc1ccccc1N(C(=O)c1ccc2ccccc2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C27H19N3O4S/c1-34-25-9-5-4-8-24(25)29(26(31)21-11-10-18-6-2-3-7-20(18)16-21)27-28-23(17-35-27)19-12-14-22(15-13-19)30(32)33/h2-17H,1H3
InChIKeyVVKNEKRUTUYKGO-UHFFFAOYSA-N
MW481.53 g/mol
LogP6.86
Rot. Bonds6

About N-(2-methoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide

N-(2-methoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide (PubChem CID 4843850) has the molecular formula C27H19N3O4S and a molecular weight of 481.53 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
PubChem CID4843850
Molecular FormulaC27H19N3O4S
Molecular Weight481.53 g/mol
Exact Mass481.11
IUPAC NameN-(2-methoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
SMILESCOc1ccccc1N(C(=O)c1ccc2ccccc2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C27H19N3O4S/c1-34-25-9-5-4-8-24(25)29(26(31)21-11-10-18-6-2-3-7-20(18)16-21)27-28-23(17-35-27)19-12-14-22(15-13-19)30(32)33/h2-17H,1H3
InChIKeyVVKNEKRUTUYKGO-UHFFFAOYSA-N
XLogP6.86
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.53
LogP ≤ 56.86
H-Bond Donors ≤ 50
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-ethoxy-N-(3-methylphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 2554505
3-methoxy-N-(2-methoxyethyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 8871693
N-(3-methylphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 8892618
3,4-dimethoxy-N-[2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 54773773
4-methoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 7917259
4-nitro-N'-phenyl-N'-(4-phenyl-1,3-thiazol-2-yl)benzohydrazide
CID 68604161
2,4-dimethoxy-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 1049837
2-(4-chloro-2,6-dimethylphenoxy)-N-(3-methylphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 4965712
N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]but-2-enehydrazide
CID 68911635
(E)-2-cyano-3-(2-methoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 19176240
2-(2,4-dimethoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 5076234
methyl 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 4169959

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide (CID 4843850) is N-(2-methoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide is COc1ccccc1N(C(=O)c1ccc2ccccc2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1.
What is the InChIKey of N-(2-methoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide?
The InChIKey is VVKNEKRUTUYKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3O4S/c1-34-25-9-5-4-8-24(25)29(26(31)21-11-10-18-6-2-3-7-20(18)16-21)27-28-23(17-35-27)19-12-14-22(15-13-19)30(32)33/h2-17H,1H3.
What are the key properties of N-(2-methoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide?
N-(2-methoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide has a molecular weight of 481.53 g/mol, XLogP of 6.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 4843850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).