2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide

C22H30N2O5S — CID 100545095

IUPAC2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccccc1NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C
InChIInChI=1S/C22H30N2O5S/c1-15(2)18-14-21(16(3)13-20(18)29-5)30(26,27)24-19-10-7-6-9-17(19)22(25)23-11-8-12-28-4/h6-7,9-10,13-15,24H,8,11-12H2,1-5H3,(H,23,25)
InChIKeyVTDOJXZJOHKGMT-UHFFFAOYSA-N
MW434.56 g/mol
LogP3.69
Rot. Bonds10

About 2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide

2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide (PubChem CID 100545095) has the molecular formula C22H30N2O5S and a molecular weight of 434.56 g/mol. Its IUPAC name is 2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
PubChem CID100545095
Molecular FormulaC22H30N2O5S
Molecular Weight434.56 g/mol
Exact Mass434.19
IUPAC Name2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccccc1NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C
InChIInChI=1S/C22H30N2O5S/c1-15(2)18-14-21(16(3)13-20(18)29-5)30(26,27)24-19-10-7-6-9-17(19)22(25)23-11-8-12-28-4/h6-7,9-10,13-15,24H,8,11-12H2,1-5H3,(H,23,25)
InChIKeyVTDOJXZJOHKGMT-UHFFFAOYSA-N
XLogP3.69
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzamide
CID 91824621
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 35990783
2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 94619748
2-(benzenesulfonamido)-N-(3-methoxypropyl)benzamide
CID 2967457
5-[(2-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-2-methylbenzamide
CID 4781193
methyl 4,5-dimethoxy-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzoate
CID 100508887
N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 31754216
2-(methanesulfonamido)-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 38573387
2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
CID 100715266
4-methoxy-2-methyl-5-propan-2-yl-N-(3-propan-2-yloxypropyl)benzenesulfonamide
CID 99839747
4-methoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
CID 2986032
2-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 55959451

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide (CID 100545095) is 2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1ccccc1NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C.
What is the InChIKey of 2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide?
The InChIKey is VTDOJXZJOHKGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5S/c1-15(2)18-14-21(16(3)13-20(18)29-5)30(26,27)24-19-10-7-6-9-17(19)22(25)23-11-8-12-28-4/h6-7,9-10,13-15,24H,8,11-12H2,1-5H3,(H,23,25).
What are the key properties of 2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide?
2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide has a molecular weight of 434.56 g/mol, XLogP of 3.69, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 100545095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).