N-[(2R)-2-(ethylamino)propyl]-4-(prop-2-enylsulfamoyl)benzamide

C15H23N3O3S — CID 120653889

IUPACN-[(2R)-2-(ethylamino)propyl]-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)NCC)cc1
InChIInChI=1S/C15H23N3O3S/c1-4-10-18-22(20,21)14-8-6-13(7-9-14)15(19)17-11-12(3)16-5-2/h4,6-9,12,16,18H,1,5,10-11H2,2-3H3,(H,17,19)/t12-/m1/s1
InChIKeyHCZDMCLVSMEWMT-GFCCVEGCSA-N
MW325.43 g/mol
LogP0.88
Rot. Bonds9

About N-[(2R)-2-(ethylamino)propyl]-4-(prop-2-enylsulfamoyl)benzamide

N-[(2R)-2-(ethylamino)propyl]-4-(prop-2-enylsulfamoyl)benzamide (PubChem CID 120653889) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-4-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-4-(prop-2-enylsulfamoyl)benzamide
PubChem CID120653889
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)NCC)cc1
InChIInChI=1S/C15H23N3O3S/c1-4-10-18-22(20,21)14-8-6-13(7-9-14)15(19)17-11-12(3)16-5-2/h4,6-9,12,16,18H,1,5,10-11H2,2-3H3,(H,17,19)/t12-/m1/s1
InChIKeyHCZDMCLVSMEWMT-GFCCVEGCSA-N
XLogP0.88
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxypropyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 78856246
N-[2-(N-methylanilino)propyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 55721364
4-(benzenesulfonamido)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120653123
4-[(2-chlorophenyl)sulfamoyl]-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120650528
[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-(prop-2-enylsulfamoyl)benzoate
CID 8954994
4-(prop-2-enylsulfamoyl)benzoic acid
CID 2512621
4-cyclopentylsulfonyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120651710
N-[(4-acetamidophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 18229481
N-[(2R)-2-(ethylamino)propyl]-4-[(4-methylphenyl)sulfonylmethyl]benzamide
CID 120654941
N-[2-(diethylamino)propyl]-4-(ethylsulfamoyl)benzamide
CID 46432829
4-(prop-2-enylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 45029526
N-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 109058553

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-4-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-4-(prop-2-enylsulfamoyl)benzamide (CID 120653889) is N-[(2R)-2-(ethylamino)propyl]-4-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-4-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-4-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)NCC)cc1.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-4-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is HCZDMCLVSMEWMT-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-4-10-18-22(20,21)14-8-6-13(7-9-14)15(19)17-11-12(3)16-5-2/h4,6-9,12,16,18H,1,5,10-11H2,2-3H3,(H,17,19)/t12-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-4-(prop-2-enylsulfamoyl)benzamide?
N-[(2R)-2-(ethylamino)propyl]-4-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 325.43 g/mol, XLogP of 0.88, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-4-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 120653889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).