2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide

C22H30N2O4S — CID 3584620

IUPAC2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C22H30N2O4S/c1-5-9-18(3)23-22(25)16-24(15-19-10-7-6-8-11-19)29(26,27)21-14-17(2)12-13-20(21)28-4/h6-8,10-14,18H,5,9,15-16H2,1-4H3,(H,23,25)
InChIKeyNSAKSPANYIVMHR-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.50
Rot. Bonds10

About 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide

2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide (PubChem CID 3584620) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide
PubChem CID3584620
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C22H30N2O4S/c1-5-9-18(3)23-22(25)16-24(15-19-10-7-6-8-11-19)29(26,27)21-14-17(2)12-13-20(21)28-4/h6-8,10-14,18H,5,9,15-16H2,1-4H3,(H,23,25)
InChIKeyNSAKSPANYIVMHR-UHFFFAOYSA-N
XLogP3.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 3496872
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-butan-2-ylacetamide
CID 4693114
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 28546764
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 43872365
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 3898762
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3,4-dimethylphenyl)acetamide
CID 4537352
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide
CID 3979664
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 4562030
methyl 4-[[2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 2236354
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-[(2S)-pentan-2-yl]acetamide
CID 126394527
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100795494
2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 100781983

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide (CID 3584620) is 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC.
What is the InChIKey of 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide?
The InChIKey is NSAKSPANYIVMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-5-9-18(3)23-22(25)16-24(15-19-10-7-6-8-11-19)29(26,27)21-14-17(2)12-13-20(21)28-4/h6-8,10-14,18H,5,9,15-16H2,1-4H3,(H,23,25).
What are the key properties of 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide?
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide has a molecular weight of 418.56 g/mol, XLogP of 3.50, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide is sourced from PubChem (CID 3584620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).