2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide

C24H24ClN3O6S — CID 43889226

IUPAC2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide
SMILESCCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl
InChIInChI=1S/C24H24ClN3O6S/c1-3-34-23-12-11-19(15-20(23)25)35(32,33)27-22(13-17-7-5-4-6-8-17)24(29)26-21-14-18(28(30)31)10-9-16(21)2/h4-12,14-15,22,27H,3,13H2,1-2H3,(H,26,29)
InChIKeyAXGYEFSGNAOSPM-UHFFFAOYSA-N
MW517.99 g/mol
LogP4.48
Rot. Bonds10

About 2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide

2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide (PubChem CID 43889226) has the molecular formula C24H24ClN3O6S and a molecular weight of 517.99 g/mol. Its IUPAC name is 2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide
PubChem CID43889226
Molecular FormulaC24H24ClN3O6S
Molecular Weight517.99 g/mol
Exact Mass517.11
IUPAC Name2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide
SMILESCCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl
InChIInChI=1S/C24H24ClN3O6S/c1-3-34-23-12-11-19(15-20(23)25)35(32,33)27-22(13-17-7-5-4-6-8-17)24(29)26-21-14-18(28(30)31)10-9-16(21)2/h4-12,14-15,22,27H,3,13H2,1-2H3,(H,26,29)
InChIKeyAXGYEFSGNAOSPM-UHFFFAOYSA-N
XLogP4.48
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.99
LogP ≤ 54.48
H-Bond Donors ≤ 52
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

(2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 30166297
2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)-3-phenylpropanamide
CID 43890898
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-naphthalen-1-yl-3-phenylpropanamide
CID 30166236
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide
CID 28542970
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,5-dichlorophenyl)-3-phenylpropanamide
CID 94863229
(2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 94863226
(2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
CID 30166323
(2S)-N-(2,4-dichlorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30165399
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-3-phenylpropanamide
CID 30166351
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 30166321
(2S)-N-(2-methyl-5-nitrophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537807
(2R)-N-benzhydryl-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94863263

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide?
The IUPAC name of 2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide (CID 43889226) is 2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide.
What is the SMILES notation for 2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide?
The canonical SMILES for 2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide is CCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide?
The InChIKey is AXGYEFSGNAOSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O6S/c1-3-34-23-12-11-19(15-20(23)25)35(32,33)27-22(13-17-7-5-4-6-8-17)24(29)26-21-14-18(28(30)31)10-9-16(21)2/h4-12,14-15,22,27H,3,13H2,1-2H3,(H,26,29).
What are the key properties of 2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide?
2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide has a molecular weight of 517.99 g/mol, XLogP of 4.48, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)-3-phenylpropanamide is sourced from PubChem (CID 43889226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).