5-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thiophene-2-carboxamide

C19H17N3O4S — CID 46476097

IUPAC5-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thiophene-2-carboxamide
SMILESCc1sc(C(=O)NCc2ccnc(OCc3ccccc3)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H17N3O4S/c1-13-16(22(24)25)10-17(27-13)19(23)21-11-15-7-8-20-18(9-15)26-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyHTJFAGQYWGNCLD-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.87
Rot. Bonds7

About 5-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thiophene-2-carboxamide

5-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thiophene-2-carboxamide (PubChem CID 46476097) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is 5-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thiophene-2-carboxamide
PubChem CID46476097
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name5-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thiophene-2-carboxamide
SMILESCc1sc(C(=O)NCc2ccnc(OCc3ccccc3)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H17N3O4S/c1-13-16(22(24)25)10-17(27-13)19(23)21-11-15-7-8-20-18(9-15)26-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyHTJFAGQYWGNCLD-UHFFFAOYSA-N
XLogP3.87
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.87
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'}

Analyze 5-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thiophene-2-carboxamide 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

3-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 55707101
N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46466541
2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46469673
N-(2,2-diphenylethyl)-5-methyl-4-nitrothiophene-2-carboxamide
CID 46443466
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-2-(thiophene-2-carbonyl)benzamide
CID 55962347
N-[(2-methoxy-4-pyridinyl)methyl]-2-(2-nitrophenyl)acetamide
CID 18155549
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 47057026
N-[(2-phenylmethoxy-4-pyridinyl)methyl]furan-3-carboxamide
CID 46475605
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-(trifluoromethyl)benzamide
CID 46469686
3,5-dimethyl-1-phenyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide
CID 55858680
3-nitro-4-[(2-phenylmethoxy-4-pyridinyl)methylamino]benzamide
CID 60505262
2-(4-chlorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707148

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thiophene-2-carboxamide (CID 46476097) is 5-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thiophene-2-carboxamide is Cc1sc(C(=O)NCc2ccnc(OCc3ccccc3)c2)cc1[N+](=O)[O-].
What is the InChIKey of 5-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thiophene-2-carboxamide?
The InChIKey is HTJFAGQYWGNCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-13-16(22(24)25)10-17(27-13)19(23)21-11-15-7-8-20-18(9-15)26-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,21,23).
What are the key properties of 5-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thiophene-2-carboxamide?
5-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thiophene-2-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 46476097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).