N-[(4-phenoxyphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide

C23H20N2O4S — CID 60618856

IUPACN-[(4-phenoxyphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C23H20N2O4S/c1-2-16-25-30(27,28)22-14-10-19(11-15-22)23(26)24-17-18-8-12-21(13-9-18)29-20-6-4-3-5-7-20/h1,3-15,25H,16-17H2,(H,24,26)
InChIKeyVNGQBKDTXVJNHN-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.32
Rot. Bonds8

About N-[(4-phenoxyphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide

N-[(4-phenoxyphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 60618856) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[(4-phenoxyphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(4-phenoxyphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
PubChem CID60618856
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC NameN-[(4-phenoxyphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C23H20N2O4S/c1-2-16-25-30(27,28)22-14-10-19(11-15-22)23(26)24-17-18-8-12-21(13-9-18)29-20-6-4-3-5-7-20/h1,3-15,25H,16-17H2,(H,24,26)
InChIKeyVNGQBKDTXVJNHN-UHFFFAOYSA-N
XLogP3.32
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.32
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-[(4-chlorophenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 33313792
4-(prop-2-ynylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 33322312
N-[[4-(dimethylamino)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 33318428
N-[[3-(difluoromethoxy)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 49390939
N-[[2-(phenylmethoxymethyl)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 55694556
N-[(3-methylphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 38295775
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
N-(2-anilino-2-oxoethyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 55837048
N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 43059176
N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide
CID 15990884
N-benzyl-4-(2-methylpropylsulfamoyl)benzamide
CID 109058915
N-[2-(dimethylamino)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297941

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenoxyphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-[(4-phenoxyphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide (CID 60618856) is N-[(4-phenoxyphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-[(4-phenoxyphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-[(4-phenoxyphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of N-[(4-phenoxyphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is VNGQBKDTXVJNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-2-16-25-30(27,28)22-14-10-19(11-15-22)23(26)24-17-18-8-12-21(13-9-18)29-20-6-4-3-5-7-20/h1,3-15,25H,16-17H2,(H,24,26).
What are the key properties of N-[(4-phenoxyphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide?
N-[(4-phenoxyphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 420.49 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenoxyphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 60618856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).