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

C19H22N4O7S2 — CID 4009096

IUPACN-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C19H22N4O7S2/c24-19(17-3-4-18(31-17)23(25)26)20-15-13-14(32(27,28)22-7-11-30-12-8-22)1-2-16(15)21-5-9-29-10-6-21/h1-4,13H,5-12H2,(H,20,24)
InChIKeyXMOZSAUBPPIFDO-UHFFFAOYSA-N
MW482.54 g/mol
LogP1.77
Rot. Bonds6

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

N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide (PubChem CID 4009096) has the molecular formula C19H22N4O7S2 and a molecular weight of 482.54 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide
PubChem CID4009096
Molecular FormulaC19H22N4O7S2
Molecular Weight482.54 g/mol
Exact Mass482.09
IUPAC NameN-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C19H22N4O7S2/c24-19(17-3-4-18(31-17)23(25)26)20-15-13-14(32(27,28)22-7-11-30-12-8-22)1-2-16(15)21-5-9-29-10-6-21/h1-4,13H,5-12H2,(H,20,24)
InChIKeyXMOZSAUBPPIFDO-UHFFFAOYSA-N
XLogP1.77
TPSA131.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide
CID 4102643
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide
CID 4791406
Cambridge id 6662308
CID 2909105
N-(4-(Morpholinosulfonyl)phenyl)-5-nitrothiophene-2-carboxamide
CID 24982541
N-(2-morpholin-4-ylphenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 2084205
4-(morpholin-4-ylsulfonyl)-N-(3-nitrophenyl)thiophene-2-carboxamide
CID 2245780
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 16546078
5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]thiophene-2-carboxamide
CID 24979581
N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-5-nitrothiophene-2-carboxamide
CID 24980136
N-[3-(4,4-dimethylpiperidin-1-yl)sulfonylphenyl]-5-nitrothiophene-2-carboxamide
CID 91669150
N-(2-morpholin-4-ylphenyl)-5-nitrothiophene-2-carboxamide
CID 2102940
2-(5-Morpholin-4-ylsulfonylthiophen-2-yl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone
CID 24980255

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide (CID 4009096) is N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide is O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide?
The InChIKey is XMOZSAUBPPIFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O7S2/c24-19(17-3-4-18(31-17)23(25)26)20-15-13-14(32(27,28)22-7-11-30-12-8-22)1-2-16(15)21-5-9-29-10-6-21/h1-4,13H,5-12H2,(H,20,24).
What are the key properties of N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide?
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide has a molecular weight of 482.54 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 4009096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).