3-[4-(methylsulfamoyl)phenyl]-N-(3-phenylprop-2-ynyl)propanamide

C19H20N2O3S — CID 51332572

IUPAC3-[4-(methylsulfamoyl)phenyl]-N-(3-phenylprop-2-ynyl)propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NCC#Cc2ccccc2)cc1
InChIInChI=1S/C19H20N2O3S/c1-20-25(23,24)18-12-9-17(10-13-18)11-14-19(22)21-15-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,20H,11,14-15H2,1H3,(H,21,22)
InChIKeySXKCGJYDEQZPRG-UHFFFAOYSA-N
MW356.45 g/mol
LogP1.70
Rot. Bonds6

About 3-[4-(methylsulfamoyl)phenyl]-N-(3-phenylprop-2-ynyl)propanamide

3-[4-(methylsulfamoyl)phenyl]-N-(3-phenylprop-2-ynyl)propanamide (PubChem CID 51332572) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-[4-(methylsulfamoyl)phenyl]-N-(3-phenylprop-2-ynyl)propanamide.

Molecular Properties

Compound Name3-[4-(methylsulfamoyl)phenyl]-N-(3-phenylprop-2-ynyl)propanamide
PubChem CID51332572
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name3-[4-(methylsulfamoyl)phenyl]-N-(3-phenylprop-2-ynyl)propanamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)NCC#Cc2ccccc2)cc1
InChIInChI=1S/C19H20N2O3S/c1-20-25(23,24)18-12-9-17(10-13-18)11-14-19(22)21-15-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,20H,11,14-15H2,1H3,(H,21,22)
InChIKeySXKCGJYDEQZPRG-UHFFFAOYSA-N
XLogP1.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 51.70
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-[4-(aminosulphonyl)phenyl]ethyl]acetamide
CID 745994
2-phenyl-N-(4-sulfamoylbenzyl)acetamide
CID 4119643
2-Propyl-pentanoic acid 4-sulfamoyl-benzylamide
CID 10946908
N-(3-{[(4-methylphenyl)sulfonyl]amino}propyl)acetamide
CID 2186028
3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 670778
2-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 1346695
1-Hexadecanaminium, N,N-dimethyl-N-[3-[(1-oxooctadecyl)amino]propyl]-, salt with 4-methylbenzenesulfonic acid (1:1)
CID 56842657
Sulfonamide deriv., 7c
CID 3433937
4-sulfamoyl-N-(2-(4-sulfamoylphenyl)ethyl)benzamide
CID 10385283
N-[2-(4-sulfamoylphenyl)ethyl]-3-[(2-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}ethyl)disulfanyl]propanamide
CID 16082757
N-[2-(4-sulfamoylphenyl)ethyl]-3-sulfanylpropanamide
CID 23645368
2-(2-bromophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 71764826

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylsulfamoyl)phenyl]-N-(3-phenylprop-2-ynyl)propanamide?
The IUPAC name of 3-[4-(methylsulfamoyl)phenyl]-N-(3-phenylprop-2-ynyl)propanamide (CID 51332572) is 3-[4-(methylsulfamoyl)phenyl]-N-(3-phenylprop-2-ynyl)propanamide.
What is the SMILES notation for 3-[4-(methylsulfamoyl)phenyl]-N-(3-phenylprop-2-ynyl)propanamide?
The canonical SMILES for 3-[4-(methylsulfamoyl)phenyl]-N-(3-phenylprop-2-ynyl)propanamide is CNS(=O)(=O)c1ccc(CCC(=O)NCC#Cc2ccccc2)cc1.
What is the InChIKey of 3-[4-(methylsulfamoyl)phenyl]-N-(3-phenylprop-2-ynyl)propanamide?
The InChIKey is SXKCGJYDEQZPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-20-25(23,24)18-12-9-17(10-13-18)11-14-19(22)21-15-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,20H,11,14-15H2,1H3,(H,21,22).
What are the key properties of 3-[4-(methylsulfamoyl)phenyl]-N-(3-phenylprop-2-ynyl)propanamide?
3-[4-(methylsulfamoyl)phenyl]-N-(3-phenylprop-2-ynyl)propanamide has a molecular weight of 356.45 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methylsulfamoyl)phenyl]-N-(3-phenylprop-2-ynyl)propanamide is sourced from PubChem (CID 51332572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).