N-[4-[3-[(4-acetylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide

C19H18N2O4S — CID 90554254

IUPACN-[4-[3-[(4-acetylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C#CCNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C19H18N2O4S/c1-14(22)17-7-11-19(12-8-17)26(24,25)20-13-3-4-16-5-9-18(10-6-16)21-15(2)23/h5-12,20H,13H2,1-2H3,(H,21,23)
InChIKeyQERCOIMDMOSALX-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.18
Rot. Bonds5

About N-[4-[3-[(4-acetylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide

N-[4-[3-[(4-acetylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide (PubChem CID 90554254) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[4-[3-[(4-acetylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[(4-acetylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
PubChem CID90554254
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC NameN-[4-[3-[(4-acetylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C#CCNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C19H18N2O4S/c1-14(22)17-7-11-19(12-8-17)26(24,25)20-13-3-4-16-5-9-18(10-6-16)21-15(2)23/h5-12,20H,13H2,1-2H3,(H,21,23)
InChIKeyQERCOIMDMOSALX-UHFFFAOYSA-N
XLogP2.18
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.18
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

4-[3-[(4-acetamidophenyl)sulfonylamino]prop-1-ynyl]benzamide
CID 90553441
N-[3-(4-acetylphenyl)prop-2-ynyl]-4-methylbenzenesulfonamide
CID 90553317
N-[4-[3-[(4-tert-butylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
CID 90554264
N-[4-[3-(4-methoxyphenyl)prop-2-ynylsulfamoyl]phenyl]acetamide
CID 90553087
N-[3-(4-acetylphenyl)prop-2-ynyl]-4-tert-butylbenzenesulfonamide
CID 90553370
N-[4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
CID 90554249
N-[3-(4-acetylphenyl)prop-2-ynyl]methanesulfonamide
CID 90553313
N-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide
CID 9356086
N-[4-[3-[(5-chlorothiophen-2-yl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
CID 90554233
N-[4-[3-[2-(dimethylamino)phenyl]prop-2-ynylsulfamoyl]phenyl]acetamide
CID 90554453
4-fluoro-N-[3-(4-fluorophenyl)prop-2-ynyl]benzenesulfonamide
CID 90552730
N-[3-(4-acetamidophenyl)prop-2-ynyl]propanamide
CID 90551520

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(4-acetylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[(4-acetylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide (CID 90554254) is N-[4-[3-[(4-acetylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[(4-acetylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[(4-acetylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide is CC(=O)Nc1ccc(C#CCNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[3-[(4-acetylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide?
The InChIKey is QERCOIMDMOSALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-14(22)17-7-11-19(12-8-17)26(24,25)20-13-3-4-16-5-9-18(10-6-16)21-15(2)23/h5-12,20H,13H2,1-2H3,(H,21,23).
What are the key properties of N-[4-[3-[(4-acetylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide?
N-[4-[3-[(4-acetylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide has a molecular weight of 370.43 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(4-acetylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide is sourced from PubChem (CID 90554254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).