N-(4-fluoro-3-nitrophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

C16H16FN3O6S2 — CID 2476605

IUPACN-(4-fluoro-3-nitrophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C16H16FN3O6S2/c17-13-3-1-11(9-14(13)20(22)23)18-15(21)10-12-2-4-16(27-12)28(24,25)19-5-7-26-8-6-19/h1-4,9H,5-8,10H2,(H,18,21)
InChIKeyDPXAVPWJQPFAOL-UHFFFAOYSA-N
MW429.45 g/mol
LogP2.00
Rot. Bonds6

About N-(4-fluoro-3-nitrophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide

N-(4-fluoro-3-nitrophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 2476605) has the molecular formula C16H16FN3O6S2 and a molecular weight of 429.45 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
PubChem CID2476605
Molecular FormulaC16H16FN3O6S2
Molecular Weight429.45 g/mol
Exact Mass429.05
IUPAC NameN-(4-fluoro-3-nitrophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C16H16FN3O6S2/c17-13-3-1-11(9-14(13)20(22)23)18-15(21)10-12-2-4-16(27-12)28(24,25)19-5-7-26-8-6-19/h1-4,9H,5-8,10H2,(H,18,21)
InChIKeyDPXAVPWJQPFAOL-UHFFFAOYSA-N
XLogP2.00
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 52.00
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-(3-Fluorophenyl)-4-(morpholine-4-sulfonyl)thiophene-2-carboxamide
CID 1238883
Cambridge id 6662308
CID 2909105
N-(4-(Morpholinosulfonyl)phenyl)-5-nitrothiophene-2-carboxamide
CID 24982541
4-(morpholin-4-ylsulfonyl)-N-(3-nitrophenyl)thiophene-2-carboxamide
CID 2245780
N-[4-(dimethylsulfamoyl)phenyl]-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide
CID 2510848
[2-(4-Nitroanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 4294128
N-(3,4-difluorophenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 4443250
N-butyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide
CID 24980486
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 24980722
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 25162194
[2-(2,4-Difluoroanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 2358374
N-(3-nitrophenyl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 2429550

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide (CID 2476605) is N-(4-fluoro-3-nitrophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is DPXAVPWJQPFAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O6S2/c17-13-3-1-11(9-14(13)20(22)23)18-15(21)10-12-2-4-16(27-12)28(24,25)19-5-7-26-8-6-19/h1-4,9H,5-8,10H2,(H,18,21).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide?
N-(4-fluoro-3-nitrophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 429.45 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 2476605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).