(E)-2-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]hex-4-enoic acid

C16H20N2O5S — CID 120693808

IUPAC(E)-2-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]hex-4-enoic acid
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NC(C/C=C/C)C(=O)O)cc1
InChIInChI=1S/C16H20N2O5S/c1-3-5-6-14(16(20)21)18-15(19)12-7-9-13(10-8-12)24(22,23)17-11-4-2/h3-5,7-10,14,17H,2,6,11H2,1H3,(H,18,19)(H,20,21)/b5-3+
InChIKeyOUKBSBZRLBSNTF-HWKANZROSA-N
MW352.41 g/mol
LogP1.30
Rot. Bonds9

About (E)-2-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]hex-4-enoic acid

(E)-2-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]hex-4-enoic acid (PubChem CID 120693808) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is (E)-2-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]hex-4-enoic acid.

Molecular Properties

Compound Name(E)-2-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]hex-4-enoic acid
PubChem CID120693808
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name(E)-2-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]hex-4-enoic acid
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NC(C/C=C/C)C(=O)O)cc1
InChIInChI=1S/C16H20N2O5S/c1-3-5-6-14(16(20)21)18-15(19)12-7-9-13(10-8-12)24(22,23)17-11-4-2/h3-5,7-10,14,17H,2,6,11H2,1H3,(H,18,19)(H,20,21)/b5-3+
InChIKeyOUKBSBZRLBSNTF-HWKANZROSA-N
XLogP1.30
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.30
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

4-(prop-2-enylsulfamoyl)benzoic acid
CID 2512621
N-(1-phenylbutyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 24547891
(E)-2-[3-(benzenesulfonamido)propanoylamino]hex-4-enoic acid
CID 120694145
(E)-2-[[4-(ethylsulfanylmethyl)benzoyl]amino]hex-4-enoic acid
CID 120693890
2-[[4-(ethylsulfamoyl)benzoyl]amino]-3-hydroxypropanoic acid
CID 43352730
N-(2-hydroxypropyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 78856246
(E)-2-[(3,4-dimethylbenzoyl)amino]hex-4-enoic acid
CID 120694168
(E)-2-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]hex-4-enoic acid
CID 120692396
N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 18278951
N-[(2R)-2-(ethylamino)propyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 120653889
(E)-2-[(4-cyclobutylbenzoyl)amino]hex-4-enoic acid
CID 120694214
N-(2-amino-1-cyclopropylethyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 119617561

Frequently Asked Questions

What is the IUPAC name of (E)-2-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]hex-4-enoic acid?
The IUPAC name of (E)-2-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]hex-4-enoic acid (CID 120693808) is (E)-2-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]hex-4-enoic acid.
What is the SMILES notation for (E)-2-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]hex-4-enoic acid?
The canonical SMILES for (E)-2-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]hex-4-enoic acid is C=CCNS(=O)(=O)c1ccc(C(=O)NC(C/C=C/C)C(=O)O)cc1.
What is the InChIKey of (E)-2-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]hex-4-enoic acid?
The InChIKey is OUKBSBZRLBSNTF-HWKANZROSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-3-5-6-14(16(20)21)18-15(19)12-7-9-13(10-8-12)24(22,23)17-11-4-2/h3-5,7-10,14,17H,2,6,11H2,1H3,(H,18,19)(H,20,21)/b5-3+.
What are the key properties of (E)-2-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]hex-4-enoic acid?
(E)-2-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]hex-4-enoic acid has a molecular weight of 352.41 g/mol, XLogP of 1.30, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]hex-4-enoic acid is sourced from PubChem (CID 120693808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).