N-(4-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide

C15H15N3O6S2 — CID 24982541

IUPACN-(4-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C15H15N3O6S2/c19-15(13-5-6-14(25-13)18(20)21)16-11-1-3-12(4-2-11)26(22,23)17-7-9-24-10-8-17/h1-6H,7-10H2,(H,16,19)
InChIKeyYJMCLZCSFUBDQP-UHFFFAOYSA-N
MW397.43 g/mol
LogP1.93
Rot. Bonds5

About N-(4-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide

N-(4-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide (PubChem CID 24982541) has the molecular formula C15H15N3O6S2 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-(4-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide
PubChem CID24982541
Molecular FormulaC15H15N3O6S2
Molecular Weight397.43 g/mol
Exact Mass397.04
IUPAC NameN-(4-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C15H15N3O6S2/c19-15(13-5-6-14(25-13)18(20)21)16-11-1-3-12(4-2-11)26(22,23)17-7-9-24-10-8-17/h1-6H,7-10H2,(H,16,19)
InChIKeyYJMCLZCSFUBDQP-UHFFFAOYSA-N
XLogP1.93
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide (CID 24982541) is N-(4-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of N-(4-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide?
The InChIKey is YJMCLZCSFUBDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O6S2/c19-15(13-5-6-14(25-13)18(20)21)16-11-1-3-12(4-2-11)26(22,23)17-7-9-24-10-8-17/h1-6H,7-10H2,(H,16,19).
What are the key properties of N-(4-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide?
N-(4-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide has a molecular weight of 397.43 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 24982541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).