N-pentan-3-yl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

C21H26N2O3S — CID 2623054

IUPACN-pentan-3-yl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC(CC)CC)c1
InChIInChI=1S/C21H26N2O3S/c1-4-15-23(19-12-8-7-9-13-19)27(25,26)20-14-10-11-17(16-20)21(24)22-18(5-2)6-3/h4,7-14,16,18H,1,5-6,15H2,2-3H3,(H,22,24)
InChIKeyAOLCOCULXXCXMT-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.99
Rot. Bonds9

About N-pentan-3-yl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

N-pentan-3-yl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide (PubChem CID 2623054) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-pentan-3-yl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-pentan-3-yl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
PubChem CID2623054
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-pentan-3-yl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC(CC)CC)c1
InChIInChI=1S/C21H26N2O3S/c1-4-15-23(19-12-8-7-9-13-19)27(25,26)20-14-10-11-17(16-20)21(24)22-18(5-2)6-3/h4,7-14,16,18H,1,5-6,15H2,2-3H3,(H,22,24)
InChIKeyAOLCOCULXXCXMT-UHFFFAOYSA-N
XLogP3.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzhydryl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 3357015
N-(2-phenylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 16547658
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 2595774
N-(4-ethoxyphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 4799866
N-(2,4-dimethylphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2600003
N-(2-methoxyphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2082409
N-(3-hydroxy-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 24980717
3-[benzenesulfonyl(benzyl)amino]-N-(1-hydroxybutan-2-yl)benzamide
CID 46182236
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 2595869
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 41291988
(4-benzoylphenyl) 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 3263241
(4-chlorophenyl) 3-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 2667184

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The IUPAC name of N-pentan-3-yl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide (CID 2623054) is N-pentan-3-yl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide.
What is the SMILES notation for N-pentan-3-yl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The canonical SMILES for N-pentan-3-yl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide is C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC(CC)CC)c1.
What is the InChIKey of N-pentan-3-yl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The InChIKey is AOLCOCULXXCXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-4-15-23(19-12-8-7-9-13-19)27(25,26)20-14-10-11-17(16-20)21(24)22-18(5-2)6-3/h4,7-14,16,18H,1,5-6,15H2,2-3H3,(H,22,24).
What are the key properties of N-pentan-3-yl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
N-pentan-3-yl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide has a molecular weight of 386.52 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide is sourced from PubChem (CID 2623054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).