4-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)thiophene-2-carboxamide

C15H15N3O6S2 — CID 2245780

IUPAC4-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1cc(S(=O)(=O)N2CCOCC2)cs1
InChIInChI=1S/C15H15N3O6S2/c19-15(16-11-2-1-3-12(8-11)18(20)21)14-9-13(10-25-14)26(22,23)17-4-6-24-7-5-17/h1-3,8-10H,4-7H2,(H,16,19)
InChIKeySHLZDWKEGJKCNP-UHFFFAOYSA-N
MW397.43 g/mol
LogP1.93
Rot. Bonds5

About 4-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)thiophene-2-carboxamide

4-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)thiophene-2-carboxamide (PubChem CID 2245780) has the molecular formula C15H15N3O6S2 and a molecular weight of 397.43 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)thiophene-2-carboxamide
PubChem CID2245780
Molecular FormulaC15H15N3O6S2
Molecular Weight397.43 g/mol
Exact Mass397.04
IUPAC Name4-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1cc(S(=O)(=O)N2CCOCC2)cs1
InChIInChI=1S/C15H15N3O6S2/c19-15(16-11-2-1-3-12(8-11)18(20)21)14-9-13(10-25-14)26(22,23)17-4-6-24-7-5-17/h1-3,8-10H,4-7H2,(H,16,19)
InChIKeySHLZDWKEGJKCNP-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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Related Compounds

N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide
CID 4009096
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide
CID 4791406
N-(3-fluorophenyl)-4-(4-morpholinylsulfonyl)-2-thiophenecarboxamide
CID 1238883
4-(Morpholine-4-sulfonyl)-thiophene-2-carboxylic acid (2-chloro-phenyl)-amide
CID 1312252
Cambridge id 6662308
CID 2909105
N-(4-(Morpholinosulfonyl)phenyl)-5-nitrothiophene-2-carboxamide
CID 24982541
N-(3-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 847853
N-(4-chlorophenyl)-4-(morpholin-4-ylsulfonyl)thiophene-2-carboxamide
CID 1117949
N-[5-(dimethylamino)-2-[morpholin-4-yl-(4-nitroanilino)phosphoryl]phenyl]thiophene-2-carboxamide
CID 4425002
5-nitro-N-[4-(pyrrolidine-1-sulfonyl)phenyl]thiophene-2-carboxamide
CID 4848130
4-{[4-(4-Nitrophenyl)piperazin-1-yl]sulfonyl}thiophene-2-carboxamide
CID 24790957
3-methyl-N-(4-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
CID 25161927

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)thiophene-2-carboxamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)thiophene-2-carboxamide (CID 2245780) is 4-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)thiophene-2-carboxamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)thiophene-2-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(S(=O)(=O)N2CCOCC2)cs1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)thiophene-2-carboxamide?
The InChIKey is SHLZDWKEGJKCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O6S2/c19-15(16-11-2-1-3-12(8-11)18(20)21)14-9-13(10-25-14)26(22,23)17-4-6-24-7-5-17/h1-3,8-10H,4-7H2,(H,16,19).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)thiophene-2-carboxamide?
4-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)thiophene-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 4-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 2245780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).