2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide

C22H30N2O5S — CID 126390865

IUPAC2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCCOC(C)C)c1ccccc1
InChIInChI=1S/C22H30N2O5S/c1-17(2)29-14-8-13-23-22(25)16-24(19-9-6-5-7-10-19)30(26,27)21-15-18(3)11-12-20(21)28-4/h5-7,9-12,15,17H,8,13-14,16H2,1-4H3,(H,23,25)
InChIKeyDUJPVVXIQLFXRN-UHFFFAOYSA-N
MW434.56 g/mol
LogP3.13
Rot. Bonds11

About 2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide

2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 126390865) has the molecular formula C22H30N2O5S and a molecular weight of 434.56 g/mol. Its IUPAC name is 2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID126390865
Molecular FormulaC22H30N2O5S
Molecular Weight434.56 g/mol
Exact Mass434.19
IUPAC Name2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCCOC(C)C)c1ccccc1
InChIInChI=1S/C22H30N2O5S/c1-17(2)29-14-8-13-23-22(25)16-24(19-9-6-5-7-10-19)30(26,27)21-15-18(3)11-12-20(21)28-4/h5-7,9-12,15,17H,8,13-14,16H2,1-4H3,(H,23,25)
InChIKeyDUJPVVXIQLFXRN-UHFFFAOYSA-N
XLogP3.13
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 126395506
N-[(3,4-dimethoxyphenyl)methyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 28547274
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(2-phenylethyl)acetamide
CID 126394486
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126274254
2-[N-(dimethylsulfamoyl)anilino]-N-(3-propan-2-yloxypropyl)acetamide
CID 17200342
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 100796036
N-(3-hydroxypropyl)-2-[N-(2-methoxy-5-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 3957853
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide
CID 3655760
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide
CID 126395330
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 28547217
2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide
CID 100796017
2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 43872424

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide (CID 126390865) is 2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide is COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCCOC(C)C)c1ccccc1.
What is the InChIKey of 2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is DUJPVVXIQLFXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5S/c1-17(2)29-14-8-13-23-22(25)16-24(19-9-6-5-7-10-19)30(26,27)21-15-18(3)11-12-20(21)28-4/h5-7,9-12,15,17H,8,13-14,16H2,1-4H3,(H,23,25).
What are the key properties of 2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide?
2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 434.56 g/mol, XLogP of 3.13, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 126390865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).