2-ethyl-N-(2-nitrophenyl)sulfonyl-4-(2-propoxyphenyl)benzamide

C24H24N2O6S — CID 175659166

IUPAC2-ethyl-N-(2-nitrophenyl)sulfonyl-4-(2-propoxyphenyl)benzamide
SMILESCCCOc1ccccc1-c1ccc(C(=O)NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(CC)c1
InChIInChI=1S/C24H24N2O6S/c1-3-15-32-22-11-7-5-9-19(22)18-13-14-20(17(4-2)16-18)24(27)25-33(30,31)23-12-8-6-10-21(23)26(28)29/h5-14,16H,3-4,15H2,1-2H3,(H,25,27)
InChIKeyPYQYJBRUHRTVIF-UHFFFAOYSA-N
MW468.53 g/mol
LogP4.73
Rot. Bonds9

About 2-ethyl-N-(2-nitrophenyl)sulfonyl-4-(2-propoxyphenyl)benzamide

2-ethyl-N-(2-nitrophenyl)sulfonyl-4-(2-propoxyphenyl)benzamide (PubChem CID 175659166) has the molecular formula C24H24N2O6S and a molecular weight of 468.53 g/mol. Its IUPAC name is 2-ethyl-N-(2-nitrophenyl)sulfonyl-4-(2-propoxyphenyl)benzamide.

Molecular Properties

Compound Name2-ethyl-N-(2-nitrophenyl)sulfonyl-4-(2-propoxyphenyl)benzamide
PubChem CID175659166
Molecular FormulaC24H24N2O6S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC Name2-ethyl-N-(2-nitrophenyl)sulfonyl-4-(2-propoxyphenyl)benzamide
SMILESCCCOc1ccccc1-c1ccc(C(=O)NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(CC)c1
InChIInChI=1S/C24H24N2O6S/c1-3-15-32-22-11-7-5-9-19(22)18-13-14-20(17(4-2)16-18)24(27)25-33(30,31)23-12-8-6-10-21(23)26(28)29/h5-14,16H,3-4,15H2,1-2H3,(H,25,27)
InChIKeyPYQYJBRUHRTVIF-UHFFFAOYSA-N
XLogP4.73
TPSA115.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-nitrophenyl)sulfonyl-2-(2,2,2-trifluoroethoxy)benzamide
CID 177397515
N-(3-chloro-2-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-methylpropyl)benzamide
CID 110077573
N-(4-tert-butylphenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-phenylethyl)benzamide
CID 110165969
N-(4-tert-butylphenyl)sulfonyl-4-(4-methoxy-2-propoxyphenyl)-2-(2-phenylethyl)benzamide
CID 110161937
N-methyl-5-nitro-6-(2-propoxyphenyl)pyridin-2-amine
CID 104663109
N-[[5-(2-ethoxyphenyl)-2-[(2R)-2-ethylpiperazin-1-yl]phenyl]methyl]-2-nitrobenzenesulfonamide
CID 170325053
2-nitro-N-(2-nitro-4,5-dipropoxyphenyl)benzamide
CID 55460788
[(2-nitrophenyl)sulfonylamino] butanoate
CID 135332624
2-(4-benzylpiperidin-1-yl)-N-(2-nitrophenyl)sulfonyl-4-propylpyrimidine-5-carboxamide
CID 110161710
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-nitrophenyl)sulfonyl-4-propylpyrimidine-5-carboxamide
CID 110161707
5-bromo-N'-(2-nitrobenzoyl)-2-propoxybenzohydrazide
CID 17351738
5-nitro-6-(2-propoxyphenyl)pyridin-2-amine
CID 104663163

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-nitrophenyl)sulfonyl-4-(2-propoxyphenyl)benzamide?
The IUPAC name of 2-ethyl-N-(2-nitrophenyl)sulfonyl-4-(2-propoxyphenyl)benzamide (CID 175659166) is 2-ethyl-N-(2-nitrophenyl)sulfonyl-4-(2-propoxyphenyl)benzamide.
What is the SMILES notation for 2-ethyl-N-(2-nitrophenyl)sulfonyl-4-(2-propoxyphenyl)benzamide?
The canonical SMILES for 2-ethyl-N-(2-nitrophenyl)sulfonyl-4-(2-propoxyphenyl)benzamide is CCCOc1ccccc1-c1ccc(C(=O)NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(CC)c1.
What is the InChIKey of 2-ethyl-N-(2-nitrophenyl)sulfonyl-4-(2-propoxyphenyl)benzamide?
The InChIKey is PYQYJBRUHRTVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6S/c1-3-15-32-22-11-7-5-9-19(22)18-13-14-20(17(4-2)16-18)24(27)25-33(30,31)23-12-8-6-10-21(23)26(28)29/h5-14,16H,3-4,15H2,1-2H3,(H,25,27).
What are the key properties of 2-ethyl-N-(2-nitrophenyl)sulfonyl-4-(2-propoxyphenyl)benzamide?
2-ethyl-N-(2-nitrophenyl)sulfonyl-4-(2-propoxyphenyl)benzamide has a molecular weight of 468.53 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-nitrophenyl)sulfonyl-4-(2-propoxyphenyl)benzamide is sourced from PubChem (CID 175659166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).