4-(diethylsulfamoyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]benzamide

C21H24N2O4S — CID 90549009

IUPAC4-(diethylsulfamoyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC#Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H24N2O4S/c1-4-23(5-2)28(25,26)20-14-10-18(11-15-20)21(24)22-16-6-7-17-8-12-19(27-3)13-9-17/h8-15H,4-5,16H2,1-3H3,(H,22,24)
InChIKeyFVPWUUJFJRVOAP-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.51
Rot. Bonds7

About 4-(diethylsulfamoyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]benzamide

4-(diethylsulfamoyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]benzamide (PubChem CID 90549009) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]benzamide
PubChem CID90549009
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name4-(diethylsulfamoyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC#Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H24N2O4S/c1-4-23(5-2)28(25,26)20-14-10-18(11-15-20)21(24)22-16-6-7-17-8-12-19(27-3)13-9-17/h8-15H,4-5,16H2,1-3H3,(H,22,24)
InChIKeyFVPWUUJFJRVOAP-UHFFFAOYSA-N
XLogP2.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 46586645
4-(diethylsulfamoyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 56524736
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516
4-(diethylsulfamoyl)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]benzamide
CID 90552189
4-(diethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 9048652
4-(diethylsulfamoyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17308419
N-[4-(diethylsulfamoyl)phenyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 2227381
4-(diethylsulfamoyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16867195
N-[4-(dibutylsulfamoyl)phenyl]-4-methoxybenzamide
CID 4190675
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-methoxybenzamide
CID 8501680
N-[3-(4-acetylphenyl)prop-2-ynyl]-3,5-dimethoxybenzamide
CID 90549483
4-(diethylsulfamoyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 56724224

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]benzamide (CID 90549009) is 4-(diethylsulfamoyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC#Cc2ccc(OC)cc2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]benzamide?
The InChIKey is FVPWUUJFJRVOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-4-23(5-2)28(25,26)20-14-10-18(11-15-20)21(24)22-16-6-7-17-8-12-19(27-3)13-9-17/h8-15H,4-5,16H2,1-3H3,(H,22,24).
What are the key properties of 4-(diethylsulfamoyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]benzamide?
4-(diethylsulfamoyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]benzamide has a molecular weight of 400.50 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]benzamide is sourced from PubChem (CID 90549009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).