2-[[2-[(2,5-dimethoxyphenyl)sulfonylamino]acetyl]amino]-4-methylpentanamide

C16H25N3O6S — CID 3870840

IUPAC2-[[2-[(2,5-dimethoxyphenyl)sulfonylamino]acetyl]amino]-4-methylpentanamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCC(=O)NC(CC(C)C)C(N)=O)c1
InChIInChI=1S/C16H25N3O6S/c1-10(2)7-12(16(17)21)19-15(20)9-18-26(22,23)14-8-11(24-3)5-6-13(14)25-4/h5-6,8,10,12,18H,7,9H2,1-4H3,(H2,17,21)(H,19,20)
InChIKeyXWMWNLFUKXHMLQ-UHFFFAOYSA-N
MW387.46 g/mol
LogP-0.00
Rot. Bonds10

About 2-[[2-[(2,5-dimethoxyphenyl)sulfonylamino]acetyl]amino]-4-methylpentanamide

2-[[2-[(2,5-dimethoxyphenyl)sulfonylamino]acetyl]amino]-4-methylpentanamide (PubChem CID 3870840) has the molecular formula C16H25N3O6S and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[[2-[(2,5-dimethoxyphenyl)sulfonylamino]acetyl]amino]-4-methylpentanamide.

Molecular Properties

Compound Name2-[[2-[(2,5-dimethoxyphenyl)sulfonylamino]acetyl]amino]-4-methylpentanamide
PubChem CID3870840
Molecular FormulaC16H25N3O6S
Molecular Weight387.46 g/mol
Exact Mass387.15
IUPAC Name2-[[2-[(2,5-dimethoxyphenyl)sulfonylamino]acetyl]amino]-4-methylpentanamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCC(=O)NC(CC(C)C)C(N)=O)c1
InChIInChI=1S/C16H25N3O6S/c1-10(2)7-12(16(17)21)19-15(20)9-18-26(22,23)14-8-11(24-3)5-6-13(14)25-4/h5-6,8,10,12,18H,7,9H2,1-4H3,(H2,17,21)(H,19,20)
InChIKeyXWMWNLFUKXHMLQ-UHFFFAOYSA-N
XLogP-0.00
TPSA136.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[(2,5-dimethoxyphenyl)sulfonylamino]acetyl]amino]-4-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 27664736
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-methylbutyl)acetamide
CID 112995202
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110370292
butyl 2-[(2,5-dimethoxyphenyl)sulfonylamino]acetate
CID 3688922
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide
CID 112996416
N-(1-hydroxy-4-methylpentan-2-yl)-2,5-dimethoxybenzenesulfonamide
CID 61246370
N-(3-hydroxybutyl)-2,5-dimethoxybenzenesulfonamide
CID 64912067
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110407286
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
CID 26943206
3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66165859
methyl 3-[[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]sulfamoyl]thiophene-2-carboxylate
CID 3476036
N-(2,3-dihydroxypropyl)-2,5-dimethoxybenzenesulfonamide
CID 66175426

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,5-dimethoxyphenyl)sulfonylamino]acetyl]amino]-4-methylpentanamide?
The IUPAC name of 2-[[2-[(2,5-dimethoxyphenyl)sulfonylamino]acetyl]amino]-4-methylpentanamide (CID 3870840) is 2-[[2-[(2,5-dimethoxyphenyl)sulfonylamino]acetyl]amino]-4-methylpentanamide.
What is the SMILES notation for 2-[[2-[(2,5-dimethoxyphenyl)sulfonylamino]acetyl]amino]-4-methylpentanamide?
The canonical SMILES for 2-[[2-[(2,5-dimethoxyphenyl)sulfonylamino]acetyl]amino]-4-methylpentanamide is COc1ccc(OC)c(S(=O)(=O)NCC(=O)NC(CC(C)C)C(N)=O)c1.
What is the InChIKey of 2-[[2-[(2,5-dimethoxyphenyl)sulfonylamino]acetyl]amino]-4-methylpentanamide?
The InChIKey is XWMWNLFUKXHMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O6S/c1-10(2)7-12(16(17)21)19-15(20)9-18-26(22,23)14-8-11(24-3)5-6-13(14)25-4/h5-6,8,10,12,18H,7,9H2,1-4H3,(H2,17,21)(H,19,20).
What are the key properties of 2-[[2-[(2,5-dimethoxyphenyl)sulfonylamino]acetyl]amino]-4-methylpentanamide?
2-[[2-[(2,5-dimethoxyphenyl)sulfonylamino]acetyl]amino]-4-methylpentanamide has a molecular weight of 387.46 g/mol, XLogP of -0.00, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,5-dimethoxyphenyl)sulfonylamino]acetyl]amino]-4-methylpentanamide is sourced from PubChem (CID 3870840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).