N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-nitrobenzamide

C20H23N3O7S — CID 4849775

IUPACN-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-nitrobenzamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H23N3O7S/c1-14(2)30-19-8-7-17(31(27,28)22-9-11-29-12-10-22)13-18(19)21-20(24)15-3-5-16(6-4-15)23(25)26/h3-8,13-14H,9-12H2,1-2H3,(H,21,24)
InChIKeyLBKPWYCRCGDNOU-UHFFFAOYSA-N
MW449.49 g/mol
LogP2.66
Rot. Bonds7

About N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-nitrobenzamide

N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-nitrobenzamide (PubChem CID 4849775) has the molecular formula C20H23N3O7S and a molecular weight of 449.49 g/mol. Its IUPAC name is N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-nitrobenzamide
PubChem CID4849775
Molecular FormulaC20H23N3O7S
Molecular Weight449.49 g/mol
Exact Mass449.13
IUPAC NameN-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-nitrobenzamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H23N3O7S/c1-14(2)30-19-8-7-17(31(27,28)22-9-11-29-12-10-22)13-18(19)21-20(24)15-3-5-16(6-4-15)23(25)26/h3-8,13-14H,9-12H2,1-2H3,(H,21,24)
InChIKeyLBKPWYCRCGDNOU-UHFFFAOYSA-N
XLogP2.66
TPSA128.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 52.66
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

4-(methylsulfanylmethyl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide
CID 30725240
N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 55684681
4-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
CID 4282639
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide
CID 24636022
N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)-4-(trifluoromethyl)benzamide
CID 5110890
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 55686826
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4875043
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylpropanamide
CID 43024520
2-cyclopentyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide
CID 4798720
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide
CID 4852404
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenoxy)acetamide
CID 3892658
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-4-propan-2-yloxybenzamide
CID 29169143

Frequently Asked Questions

What is the IUPAC name of N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-nitrobenzamide?
The IUPAC name of N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-nitrobenzamide (CID 4849775) is N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-nitrobenzamide.
What is the SMILES notation for N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-nitrobenzamide?
The canonical SMILES for N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-nitrobenzamide is CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-nitrobenzamide?
The InChIKey is LBKPWYCRCGDNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O7S/c1-14(2)30-19-8-7-17(31(27,28)22-9-11-29-12-10-22)13-18(19)21-20(24)15-3-5-16(6-4-15)23(25)26/h3-8,13-14H,9-12H2,1-2H3,(H,21,24).
What are the key properties of N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-nitrobenzamide?
N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-nitrobenzamide has a molecular weight of 449.49 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-4-nitrobenzamide is sourced from PubChem (CID 4849775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).