N-[4-[3-(4-methoxyphenyl)prop-2-ynylsulfamoyl]phenyl]acetamide

C18H18N2O4S — CID 90553087

IUPACN-[4-[3-(4-methoxyphenyl)prop-2-ynylsulfamoyl]phenyl]acetamide
SMILESCOc1ccc(C#CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C18H18N2O4S/c1-14(21)20-16-7-11-18(12-8-16)25(22,23)19-13-3-4-15-5-9-17(24-2)10-6-15/h5-12,19H,13H2,1-2H3,(H,20,21)
InChIKeyJSINHTHIOMRBIA-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.98
Rot. Bonds5

About N-[4-[3-(4-methoxyphenyl)prop-2-ynylsulfamoyl]phenyl]acetamide

N-[4-[3-(4-methoxyphenyl)prop-2-ynylsulfamoyl]phenyl]acetamide (PubChem CID 90553087) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[4-[3-(4-methoxyphenyl)prop-2-ynylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(4-methoxyphenyl)prop-2-ynylsulfamoyl]phenyl]acetamide
PubChem CID90553087
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-[4-[3-(4-methoxyphenyl)prop-2-ynylsulfamoyl]phenyl]acetamide
SMILESCOc1ccc(C#CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C18H18N2O4S/c1-14(21)20-16-7-11-18(12-8-16)25(22,23)19-13-3-4-15-5-9-17(24-2)10-6-15/h5-12,19H,13H2,1-2H3,(H,20,21)
InChIKeyJSINHTHIOMRBIA-UHFFFAOYSA-N
XLogP1.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[3-(4-methoxyphenyl)prop-2-ynylsulfamoyl]phenyl]acetamide 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

N-[4-[3-[(4-acetylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
CID 90554254
N-[4-[3-[(4-tert-butylphenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
CID 90554264
4-[3-[(4-acetamidophenyl)sulfonylamino]prop-1-ynyl]benzamide
CID 90553441
4-ethyl-N-[3-(4-methoxyphenyl)prop-2-ynyl]benzenesulfonamide
CID 90553137
N-[3-(4-methoxyphenyl)prop-2-ynyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90553121
N-(4-acetamidophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192669
N-[4-[3-[(3-fluorophenyl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
CID 90554249
N-[4-[[2-(4-methoxyphenyl)-2-methylpropyl]sulfamoyl]phenyl]acetamide
CID 113090514
N-[4-[4-(4-methoxyphenyl)butylsulfamoyl]phenyl]acetamide
CID 110288838
N-[4-[[(4-methoxybenzoyl)amino]sulfamoyl]phenyl]acetamide
CID 3390773
N-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide
CID 9356086
N-[4-[3-[(5-chlorothiophen-2-yl)sulfonylamino]prop-1-ynyl]phenyl]acetamide
CID 90554233

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-methoxyphenyl)prop-2-ynylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[3-(4-methoxyphenyl)prop-2-ynylsulfamoyl]phenyl]acetamide (CID 90553087) is N-[4-[3-(4-methoxyphenyl)prop-2-ynylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(4-methoxyphenyl)prop-2-ynylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(4-methoxyphenyl)prop-2-ynylsulfamoyl]phenyl]acetamide is COc1ccc(C#CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[3-(4-methoxyphenyl)prop-2-ynylsulfamoyl]phenyl]acetamide?
The InChIKey is JSINHTHIOMRBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-14(21)20-16-7-11-18(12-8-16)25(22,23)19-13-3-4-15-5-9-17(24-2)10-6-15/h5-12,19H,13H2,1-2H3,(H,20,21).
What are the key properties of N-[4-[3-(4-methoxyphenyl)prop-2-ynylsulfamoyl]phenyl]acetamide?
N-[4-[3-(4-methoxyphenyl)prop-2-ynylsulfamoyl]phenyl]acetamide has a molecular weight of 358.42 g/mol, XLogP of 1.98, 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-methoxyphenyl)prop-2-ynylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 90553087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).