2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)-N-(phenylcarbamoyl)propanamide

C20H22N4O8S — CID 24567263

IUPAC2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)-N-(phenylcarbamoyl)propanamide
SMILESCC(Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C20H22N4O8S/c1-14(19(25)22-20(26)21-15-5-3-2-4-6-15)32-18-8-7-16(13-17(18)24(27)28)33(29,30)23-9-11-31-12-10-23/h2-8,13-14H,9-12H2,1H3,(H2,21,22,25,26)
InChIKeyLCTUNRZSQBUUBM-UHFFFAOYSA-N
MW478.48 g/mol
LogP1.73
Rot. Bonds7

About 2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)-N-(phenylcarbamoyl)propanamide

2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)-N-(phenylcarbamoyl)propanamide (PubChem CID 24567263) has the molecular formula C20H22N4O8S and a molecular weight of 478.48 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)-N-(phenylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)-N-(phenylcarbamoyl)propanamide
PubChem CID24567263
Molecular FormulaC20H22N4O8S
Molecular Weight478.48 g/mol
Exact Mass478.12
IUPAC Name2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)-N-(phenylcarbamoyl)propanamide
SMILESCC(Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C20H22N4O8S/c1-14(19(25)22-20(26)21-15-5-3-2-4-6-15)32-18-8-7-16(13-17(18)24(27)28)33(29,30)23-9-11-31-12-10-23/h2-8,13-14H,9-12H2,1H3,(H2,21,22,25,26)
InChIKeyLCTUNRZSQBUUBM-UHFFFAOYSA-N
XLogP1.73
TPSA157.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.48
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

1-morpholin-4-yl-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propan-1-one
CID 42898646
1-(2-methyl-1H-indol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)propan-1-one
CID 16958500
2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetic acid
CID 16771112
(2R)-N-cyclopropyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propanamide
CID 7290621
[1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-(2-nitrophenoxy)acetate
CID 42969797
[4-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)phenyl]-phenylmethanone
CID 3419946
4-[3-nitro-4-(3-phenylpropoxy)phenyl]sulfonylmorpholine
CID 7290604
(2S)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-1-piperidin-1-ylpropan-1-one
CID 7917264
N-(2,5-dimethylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)acetamide
CID 24567269
[(1S)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] 2-nitrobenzoate
CID 98386271
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] 2-nitrobenzoate
CID 3628990
4-(4-naphthalen-2-yloxy-3-nitrophenyl)sulfonylmorpholine
CID 9280495

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)-N-(phenylcarbamoyl)propanamide?
The IUPAC name of 2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)-N-(phenylcarbamoyl)propanamide (CID 24567263) is 2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)-N-(phenylcarbamoyl)propanamide.
What is the SMILES notation for 2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)-N-(phenylcarbamoyl)propanamide?
The canonical SMILES for 2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)-N-(phenylcarbamoyl)propanamide is CC(Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)NC(=O)Nc1ccccc1.
What is the InChIKey of 2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)-N-(phenylcarbamoyl)propanamide?
The InChIKey is LCTUNRZSQBUUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O8S/c1-14(19(25)22-20(26)21-15-5-3-2-4-6-15)32-18-8-7-16(13-17(18)24(27)28)33(29,30)23-9-11-31-12-10-23/h2-8,13-14H,9-12H2,1H3,(H2,21,22,25,26).
What are the key properties of 2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)-N-(phenylcarbamoyl)propanamide?
2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)-N-(phenylcarbamoyl)propanamide has a molecular weight of 478.48 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)-N-(phenylcarbamoyl)propanamide is sourced from PubChem (CID 24567263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).