2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide

C24H24N4O6S — CID 92511756

IUPAC2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C24H24N4O6S/c1-34-23-13-12-20(16-22(23)28(30)31)17-25-26-24(29)18-27(15-14-19-8-4-2-5-9-19)35(32,33)21-10-6-3-7-11-21/h2-13,16-17H,14-15,18H2,1H3,(H,26,29)/b25-17-
InChIKeyDMQXKBMFXSBKDZ-UQQQWYQISA-N
MW496.55 g/mol
LogP2.99
Rot. Bonds11

About 2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide

2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide (PubChem CID 92511756) has the molecular formula C24H24N4O6S and a molecular weight of 496.55 g/mol. Its IUPAC name is 2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide
PubChem CID92511756
Molecular FormulaC24H24N4O6S
Molecular Weight496.55 g/mol
Exact Mass496.14
IUPAC Name2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C24H24N4O6S/c1-34-23-13-12-20(16-22(23)28(30)31)17-25-26-24(29)18-27(15-14-19-8-4-2-5-9-19)35(32,33)21-10-6-3-7-11-21/h2-13,16-17H,14-15,18H2,1H3,(H,26,29)/b25-17-
InChIKeyDMQXKBMFXSBKDZ-UQQQWYQISA-N
XLogP2.99
TPSA131.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.55
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide
CID 126375515
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(4-methoxy-3-nitrophenyl)methylideneamino]acetamide
CID 3130101
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide
CID 98093714
2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
CID 94847348
2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide
CID 126375291
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136916324
2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
CID 6182027
2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 92511648
methyl 4-[(Z)-[[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]hydrazinylidene]methyl]benzoate
CID 92511490
2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 92511644
2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 92511766
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94847336

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide (CID 92511756) is 2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide is COc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of 2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide?
The InChIKey is DMQXKBMFXSBKDZ-UQQQWYQISA-N. The full InChI is InChI=1S/C24H24N4O6S/c1-34-23-13-12-20(16-22(23)28(30)31)17-25-26-24(29)18-27(15-14-19-8-4-2-5-9-19)35(32,33)21-10-6-3-7-11-21/h2-13,16-17H,14-15,18H2,1H3,(H,26,29)/b25-17-.
What are the key properties of 2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide?
2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide has a molecular weight of 496.55 g/mol, XLogP of 2.99, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 92511756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).