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

C20H26N2O6S — CID 108570759

IUPACN-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2C)cc(OC)c1OC
InChIInChI=1S/C20H26N2O6S/c1-13-6-7-18(14(2)10-13)29(24,25)22-9-8-21-20(23)15-11-16(26-3)19(28-5)17(12-15)27-4/h6-7,10-12,22H,8-9H2,1-5H3,(H,21,23)
InChIKeyDYUURJQXUCAOOR-UHFFFAOYSA-N
MW422.50 g/mol
LogP2.04
Rot. Bonds9

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

N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-trimethoxybenzamide (PubChem CID 108570759) has the molecular formula C20H26N2O6S and a molecular weight of 422.50 g/mol. Its IUPAC name is N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-trimethoxybenzamide
PubChem CID108570759
Molecular FormulaC20H26N2O6S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC NameN-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2C)cc(OC)c1OC
InChIInChI=1S/C20H26N2O6S/c1-13-6-7-18(14(2)10-13)29(24,25)22-9-8-21-20(23)15-11-16(26-3)19(28-5)17(12-15)27-4/h6-7,10-12,22H,8-9H2,1-5H3,(H,21,23)
InChIKeyDYUURJQXUCAOOR-UHFFFAOYSA-N
XLogP2.04
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 52.04
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]-3,4,5-triethoxybenzamide
CID 46402299
2,4-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 9190953
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3-hydroxybenzamide
CID 108575024
N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]benzamide
CID 110292077
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 31391784
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-methylbenzamide
CID 108574771
4-tert-butyl-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 108573220
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 24663420
methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
CID 108570777
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-oxopentanamide
CID 108574932
2-methoxy-5-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide
CID 113095698
N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
CID 108538120

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-trimethoxybenzamide (CID 108570759) is N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2C)cc(OC)c1OC.
What is the InChIKey of N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is DYUURJQXUCAOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S/c1-13-6-7-18(14(2)10-13)29(24,25)22-9-8-21-20(23)15-11-16(26-3)19(28-5)17(12-15)27-4/h6-7,10-12,22H,8-9H2,1-5H3,(H,21,23).
What are the key properties of N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-trimethoxybenzamide?
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 422.50 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 108570759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).