N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide

C26H28N4O7S — CID 16959344

IUPACN-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1
InChIInChI=1S/C26H28N4O7S/c1-3-29(19-7-5-4-6-8-19)38(34,35)21-10-12-25(36-2)23(18-21)27-26(31)22-17-20(30(32)33)9-11-24(22)28-13-15-37-16-14-28/h4-12,17-18H,3,13-16H2,1-2H3,(H,27,31)
InChIKeyDWUXKJLCZJGCQD-UHFFFAOYSA-N
MW540.60 g/mol
LogP3.91
Rot. Bonds9

About N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide

N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide (PubChem CID 16959344) has the molecular formula C26H28N4O7S and a molecular weight of 540.60 g/mol. Its IUPAC name is N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide.

Molecular Properties

Compound NameN-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide
PubChem CID16959344
Molecular FormulaC26H28N4O7S
Molecular Weight540.60 g/mol
Exact Mass540.17
IUPAC NameN-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1
InChIInChI=1S/C26H28N4O7S/c1-3-29(19-7-5-4-6-8-19)38(34,35)21-10-12-25(36-2)23(18-21)27-26(31)22-17-20(30(32)33)9-11-24(22)28-13-15-37-16-14-28/h4-12,17-18H,3,13-16H2,1-2H3,(H,27,31)
InChIKeyDWUXKJLCZJGCQD-UHFFFAOYSA-N
XLogP3.91
TPSA131.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.60
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-methoxy-3-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 3968400
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(dimethylamino)-5-nitrobenzamide
CID 4850521
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]naphthalene-1-carboxamide
CID 4801217
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43893310
2-morpholin-4-yl-5-nitro-N-(2-phenoxyphenyl)benzamide
CID 5037290
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 23101086
2-morpholin-4-yl-5-nitro-N-(2-nitrophenyl)benzamide
CID 3524695
2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide
CID 7900478
4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-(2-methoxy-5-nitrophenyl)benzamide
CID 28591624
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-piperidin-1-ylacetamide
CID 4826047
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-methylpyridine-2-carboxamide
CID 31912749
1-benzyl-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-oxopyridazine-3-carboxamide
CID 16547973

Frequently Asked Questions

What is the IUPAC name of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide?
The IUPAC name of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide (CID 16959344) is N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide.
What is the SMILES notation for N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide?
The canonical SMILES for N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1.
What is the InChIKey of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide?
The InChIKey is DWUXKJLCZJGCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O7S/c1-3-29(19-7-5-4-6-8-19)38(34,35)21-10-12-25(36-2)23(18-21)27-26(31)22-17-20(30(32)33)9-11-24(22)28-13-15-37-16-14-28/h4-12,17-18H,3,13-16H2,1-2H3,(H,27,31).
What are the key properties of N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide?
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide has a molecular weight of 540.60 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide is sourced from PubChem (CID 16959344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).