2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide

C20H26N2O5S — CID 3979664

IUPAC2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCCO)Cc1ccccc1
InChIInChI=1S/C20H26N2O5S/c1-16-9-10-18(27-2)19(13-16)28(25,26)22(14-17-7-4-3-5-8-17)15-20(24)21-11-6-12-23/h3-5,7-10,13,23H,6,11-12,14-15H2,1-2H3,(H,21,24)
InChIKeyMPMBAYKSAHKFDA-UHFFFAOYSA-N
MW406.50 g/mol
LogP1.69
Rot. Bonds10

About 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide

2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide (PubChem CID 3979664) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide
PubChem CID3979664
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCCO)Cc1ccccc1
InChIInChI=1S/C20H26N2O5S/c1-16-9-10-18(27-2)19(13-16)28(25,26)22(14-17-7-4-3-5-8-17)15-20(24)21-11-6-12-23/h3-5,7-10,13,23H,6,11-12,14-15H2,1-2H3,(H,21,24)
InChIKeyMPMBAYKSAHKFDA-UHFFFAOYSA-N
XLogP1.69
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100795494
N-benzyl-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 3496872
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-(4-methoxyphenyl)acetamide
CID 4562030
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 126393677
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-pentan-2-ylacetamide
CID 3584620
2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 100781983
methyl 4-[[2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 2236354
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)acetamide
CID 3655760
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 126376173
2-[[[2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 3985642

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide (CID 3979664) is 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide is COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCCO)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide?
The InChIKey is MPMBAYKSAHKFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-16-9-10-18(27-2)19(13-16)28(25,26)22(14-17-7-4-3-5-8-17)15-20(24)21-11-6-12-23/h3-5,7-10,13,23H,6,11-12,14-15H2,1-2H3,(H,21,24).
What are the key properties of 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide?
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide has a molecular weight of 406.50 g/mol, XLogP of 1.69, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 3979664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).