N-(2,2-diphenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide

C24H22N2O3S — CID 27018001

IUPACN-(2,2-diphenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)NCC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H22N2O3S/c1-2-16-26-30(28,29)22-15-9-14-21(17-22)24(27)25-18-23(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h1,3-15,17,23,26H,16,18H2,(H,25,27)
InChIKeyYJGAPRDFGAHRGQ-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.16
Rot. Bonds8

About N-(2,2-diphenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide

N-(2,2-diphenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 27018001) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide
PubChem CID27018001
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC NameN-(2,2-diphenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)NCC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H22N2O3S/c1-2-16-26-30(28,29)22-15-9-14-21(17-22)24(27)25-18-23(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h1,3-15,17,23,26H,16,18H2,(H,25,27)
InChIKeyYJGAPRDFGAHRGQ-UHFFFAOYSA-N
XLogP3.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)-2-phenylethyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 46446856
N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 46664277
N-methyl-N-(1-phenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 134041612
N-(4-methylpentyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 32628850
N-[(2-fluorophenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 27009215
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 24658958
N-[2-(dimethylamino)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297941
N-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide
CID 46524259
3-(ethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 55462512
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 24550323
3-methylsulfonyl-N-(2-phenylpropyl)benzamide
CID 42894359
3-(prop-2-ynylsulfamoyl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 46468352

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-(2,2-diphenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide (CID 27018001) is N-(2,2-diphenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-(2,2-diphenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-(2,2-diphenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1cccc(C(=O)NCC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-(2,2-diphenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is YJGAPRDFGAHRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-2-16-26-30(28,29)22-15-9-14-21(17-22)24(27)25-18-23(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h1,3-15,17,23,26H,16,18H2,(H,25,27).
What are the key properties of N-(2,2-diphenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide?
N-(2,2-diphenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 418.52 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 27018001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).