N-(2-propan-2-yloxyphenyl)-4-(prop-2-ynylsulfamoyl)benzamide

C19H20N2O4S — CID 39498711

IUPACN-(2-propan-2-yloxyphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2OC(C)C)cc1
InChIInChI=1S/C19H20N2O4S/c1-4-13-20-26(23,24)16-11-9-15(10-12-16)19(22)21-17-7-5-6-8-18(17)25-14(2)3/h1,5-12,14,20H,13H2,2-3H3,(H,21,22)
InChIKeyZJBLWRBYPMCPPJ-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.64
Rot. Bonds7

About N-(2-propan-2-yloxyphenyl)-4-(prop-2-ynylsulfamoyl)benzamide

N-(2-propan-2-yloxyphenyl)-4-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 39498711) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(2-propan-2-yloxyphenyl)-4-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-propan-2-yloxyphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
PubChem CID39498711
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-(2-propan-2-yloxyphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2OC(C)C)cc1
InChIInChI=1S/C19H20N2O4S/c1-4-13-20-26(23,24)16-11-9-15(10-12-16)19(22)21-17-7-5-6-8-18(17)25-14(2)3/h1,5-12,14,20H,13H2,2-3H3,(H,21,22)
InChIKeyZJBLWRBYPMCPPJ-UHFFFAOYSA-N
XLogP2.64
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.64
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-(2-propan-2-yloxyphenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 39498618
4-(ethylsulfamoyl)-N-(2-propan-2-yloxyphenyl)benzamide
CID 39498244
N-(2-fluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 33314164
N-propan-2-yl-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297855
1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049242
4-(ethylsulfamoyl)-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 55990432
1-N-(2-methylpropyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109043960
N-(1-phenylethyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297156
N-(3-acetylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 34833159
1-N-(2-methoxyethyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109045189
N-(2-hydroxypropyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 78856021
N-(2-propan-2-yloxyphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044330

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyphenyl)-4-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-(2-propan-2-yloxyphenyl)-4-(prop-2-ynylsulfamoyl)benzamide (CID 39498711) is N-(2-propan-2-yloxyphenyl)-4-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-propan-2-yloxyphenyl)-4-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-(2-propan-2-yloxyphenyl)-4-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2OC(C)C)cc1.
What is the InChIKey of N-(2-propan-2-yloxyphenyl)-4-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is ZJBLWRBYPMCPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-4-13-20-26(23,24)16-11-9-15(10-12-16)19(22)21-17-7-5-6-8-18(17)25-14(2)3/h1,5-12,14,20H,13H2,2-3H3,(H,21,22).
What are the key properties of N-(2-propan-2-yloxyphenyl)-4-(prop-2-ynylsulfamoyl)benzamide?
N-(2-propan-2-yloxyphenyl)-4-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 372.45 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyphenyl)-4-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 39498711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).