2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-butan-2-ylacetamide

C21H28N2O5S — CID 4693114

IUPAC2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C21H28N2O5S/c1-5-16(2)22-21(24)15-23(14-17-9-7-6-8-10-17)29(25,26)20-13-18(27-3)11-12-19(20)28-4/h6-13,16H,5,14-15H2,1-4H3,(H,22,24)
InChIKeyVMAWQLHADFHLPQ-UHFFFAOYSA-N
MW420.53 g/mol
LogP2.81
Rot. Bonds10

About 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-butan-2-ylacetamide

2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-butan-2-ylacetamide (PubChem CID 4693114) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-butan-2-ylacetamide
PubChem CID4693114
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC Name2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C21H28N2O5S/c1-5-16(2)22-21(24)15-23(14-17-9-7-6-8-10-17)29(25,26)20-13-18(27-3)11-12-19(20)28-4/h6-13,16H,5,14-15H2,1-4H3,(H,22,24)
InChIKeyVMAWQLHADFHLPQ-UHFFFAOYSA-N
XLogP2.81
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide
CID 3584620
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide
CID 3655760
2-[(E)-[[2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 126373097
methyl 4-[[2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]acetyl]amino]benzoate
CID 126383816
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-chlorophenyl)acetamide
CID 3646997
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4287672
2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 94861549
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[(3-methoxyphenyl)methylideneamino]acetamide
CID 4563517
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 4562030
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
N-benzyl-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 3496872

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-butan-2-ylacetamide?
The IUPAC name of 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-butan-2-ylacetamide (CID 4693114) is 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-butan-2-ylacetamide is CCC(C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(OC)ccc1OC.
What is the InChIKey of 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-butan-2-ylacetamide?
The InChIKey is VMAWQLHADFHLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-5-16(2)22-21(24)15-23(14-17-9-7-6-8-10-17)29(25,26)20-13-18(27-3)11-12-19(20)28-4/h6-13,16H,5,14-15H2,1-4H3,(H,22,24).
What are the key properties of 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-butan-2-ylacetamide?
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-butan-2-ylacetamide has a molecular weight of 420.53 g/mol, XLogP of 2.81, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-butan-2-ylacetamide is sourced from PubChem (CID 4693114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).