N-[3-[4-[(2,5-dimethylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide

C20H22N2O4S — CID 90577505

IUPACN-[3-[4-[(2,5-dimethylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCC#CCNS(=O)(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C20H22N2O4S/c1-15-9-10-16(2)20(13-15)27(24,25)21-11-4-5-12-26-19-8-6-7-18(14-19)22-17(3)23/h6-10,13-14,21H,11-12H2,1-3H3,(H,22,23)
InChIKeyKQGSXJRAQOAICQ-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.62
Rot. Bonds6

About N-[3-[4-[(2,5-dimethylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide

N-[3-[4-[(2,5-dimethylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide (PubChem CID 90577505) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[3-[4-[(2,5-dimethylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[(2,5-dimethylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide
PubChem CID90577505
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-[3-[4-[(2,5-dimethylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCC#CCNS(=O)(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C20H22N2O4S/c1-15-9-10-16(2)20(13-15)27(24,25)21-11-4-5-12-26-19-8-6-7-18(14-19)22-17(3)23/h6-10,13-14,21H,11-12H2,1-3H3,(H,22,23)
InChIKeyKQGSXJRAQOAICQ-UHFFFAOYSA-N
XLogP2.62
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-[(2,4-dimethylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide
CID 90577504
N-[3-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide
CID 90577516
N-[3-[4-(propan-2-ylsulfonylamino)but-2-ynoxy]phenyl]acetamide
CID 90577537
N-[4-(3-acetamidophenoxy)but-2-ynyl]-2-(3-methylphenyl)acetamide
CID 90577329
N-[3-[4-[[(E)-2-phenylethenyl]sulfonylamino]but-2-ynoxy]phenyl]acetamide
CID 90577523
N-[3-[(2,5-dimethylphenyl)methoxy]phenyl]acetamide
CID 7698442
N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 55689090
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
N-[4-[4-[3-(trifluoromethyl)phenoxy]but-2-ynylsulfamoyl]phenyl]acetamide
CID 71803054
N-[3-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]phenyl]acetamide
CID 90577447
ethyl 4-[4-(3-acetamidophenoxy)but-2-ynylamino]-4-oxobutanoate
CID 90577240
5-chloro-N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-methylbenzenesulfonamide
CID 90575738

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(2,5-dimethylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide?
The IUPAC name of N-[3-[4-[(2,5-dimethylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide (CID 90577505) is N-[3-[4-[(2,5-dimethylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[(2,5-dimethylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[(2,5-dimethylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide is CC(=O)Nc1cccc(OCC#CCNS(=O)(=O)c2cc(C)ccc2C)c1.
What is the InChIKey of N-[3-[4-[(2,5-dimethylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide?
The InChIKey is KQGSXJRAQOAICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-15-9-10-16(2)20(13-15)27(24,25)21-11-4-5-12-26-19-8-6-7-18(14-19)22-17(3)23/h6-10,13-14,21H,11-12H2,1-3H3,(H,22,23).
What are the key properties of N-[3-[4-[(2,5-dimethylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide?
N-[3-[4-[(2,5-dimethylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide has a molecular weight of 386.47 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(2,5-dimethylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide is sourced from PubChem (CID 90577505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).