N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-triethoxybenzamide

C23H32N2O6S — CID 46402299

IUPACN-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NCCNS(=O)(=O)c2cc(C)ccc2C)cc(OCC)c1OCC
InChIInChI=1S/C23H32N2O6S/c1-6-29-19-14-18(15-20(30-7-2)22(19)31-8-3)23(26)24-11-12-25-32(27,28)21-13-16(4)9-10-17(21)5/h9-10,13-15,25H,6-8,11-12H2,1-5H3,(H,24,26)
InChIKeyYLJPHPUMVNRUMC-UHFFFAOYSA-N
MW464.58 g/mol
LogP3.21
Rot. Bonds12

About N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-triethoxybenzamide

N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-triethoxybenzamide (PubChem CID 46402299) has the molecular formula C23H32N2O6S and a molecular weight of 464.58 g/mol. Its IUPAC name is N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-triethoxybenzamide
PubChem CID46402299
Molecular FormulaC23H32N2O6S
Molecular Weight464.58 g/mol
Exact Mass464.20
IUPAC NameN-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NCCNS(=O)(=O)c2cc(C)ccc2C)cc(OCC)c1OCC
InChIInChI=1S/C23H32N2O6S/c1-6-29-19-14-18(15-20(30-7-2)22(19)31-8-3)23(26)24-11-12-25-32(27,28)21-13-16(4)9-10-17(21)5/h9-10,13-15,25H,6-8,11-12H2,1-5H3,(H,24,26)
InChIKeyYLJPHPUMVNRUMC-UHFFFAOYSA-N
XLogP3.21
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.58
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 24663420
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-trimethoxybenzamide
CID 108570759
N-[2-[(4-ethoxy-2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 110292090
N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]benzamide
CID 110292077
3,4,5-triethoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 18190067
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 108574288
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-ethoxyphenyl)propanamide
CID 78768790
2-ethoxy-5-methyl-N-propylbenzenesulfonamide
CID 54449996
1-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-pyridin-2-ylurea
CID 51084190
3-[(2,5-dimethylphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 30482009
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3-hydroxybenzamide
CID 108575024
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-6-methylpyridine-2-carboxamide
CID 32998084

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-triethoxybenzamide?
The IUPAC name of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-triethoxybenzamide (CID 46402299) is N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-triethoxybenzamide?
The canonical SMILES for N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)NCCNS(=O)(=O)c2cc(C)ccc2C)cc(OCC)c1OCC.
What is the InChIKey of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-triethoxybenzamide?
The InChIKey is YLJPHPUMVNRUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O6S/c1-6-29-19-14-18(15-20(30-7-2)22(19)31-8-3)23(26)24-11-12-25-32(27,28)21-13-16(4)9-10-17(21)5/h9-10,13-15,25H,6-8,11-12H2,1-5H3,(H,24,26).
What are the key properties of N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-triethoxybenzamide?
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-triethoxybenzamide has a molecular weight of 464.58 g/mol, XLogP of 3.21, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-triethoxybenzamide is sourced from PubChem (CID 46402299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).