4-tert-butyl-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]benzamide

C22H30N2O4S — CID 108573220

IUPAC4-tert-butyl-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H30N2O4S/c1-15-13-19(28-6)20(14-16(15)2)29(26,27)24-12-11-23-21(25)17-7-9-18(10-8-17)22(3,4)5/h7-10,13-14,24H,11-12H2,1-6H3,(H,23,25)
InChIKeyFQFACCAFWMOJQS-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.32
Rot. Bonds7

About 4-tert-butyl-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]benzamide

4-tert-butyl-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]benzamide (PubChem CID 108573220) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
PubChem CID108573220
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name4-tert-butyl-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H30N2O4S/c1-15-13-19(28-6)20(14-16(15)2)29(26,27)24-12-11-23-21(25)17-7-9-18(10-8-17)22(3,4)5/h7-10,13-14,24H,11-12H2,1-6H3,(H,23,25)
InChIKeyFQFACCAFWMOJQS-UHFFFAOYSA-N
XLogP3.32
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-2-sulfanylbenzamide
CID 108573477
N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]benzamide
CID 110292077
N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-3,5-dimethoxybenzamide
CID 108571354
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 108573631
2-(4-ethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 108573136
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
3-(3,4-dimethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 108574284
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]adamantane-1-carboxamide
CID 108575099
2-(1,3-dioxoisoindol-2-yl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 108572092
N-[2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 35304540
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-4-phenoxybutanamide
CID 108573003

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]benzamide (CID 108573220) is 4-tert-butyl-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]benzamide is COc1cc(C)c(C)cc1S(=O)(=O)NCCNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]benzamide?
The InChIKey is FQFACCAFWMOJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-15-13-19(28-6)20(14-16(15)2)29(26,27)24-12-11-23-21(25)17-7-9-18(10-8-17)22(3,4)5/h7-10,13-14,24H,11-12H2,1-6H3,(H,23,25).
What are the key properties of 4-tert-butyl-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]benzamide?
4-tert-butyl-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]benzamide has a molecular weight of 418.56 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]benzamide is sourced from PubChem (CID 108573220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).