2-[4-(cyclopropylsulfamoyl)-N-prop-2-enylanilino]acetic acid

C14H18N2O4S — CID 79264080

IUPAC2-[4-(cyclopropylsulfamoyl)-N-prop-2-enylanilino]acetic acid
SMILESC=CCN(CC(=O)O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C14H18N2O4S/c1-2-9-16(10-14(17)18)12-5-7-13(8-6-12)21(19,20)15-11-3-4-11/h2,5-8,11,15H,1,3-4,9-10H2,(H,17,18)
InChIKeyGAZTVXMPGLJIOR-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.20
Rot. Bonds8

About 2-[4-(cyclopropylsulfamoyl)-N-prop-2-enylanilino]acetic acid

2-[4-(cyclopropylsulfamoyl)-N-prop-2-enylanilino]acetic acid (PubChem CID 79264080) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[4-(cyclopropylsulfamoyl)-N-prop-2-enylanilino]acetic acid.

Molecular Properties

Compound Name2-[4-(cyclopropylsulfamoyl)-N-prop-2-enylanilino]acetic acid
PubChem CID79264080
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name2-[4-(cyclopropylsulfamoyl)-N-prop-2-enylanilino]acetic acid
SMILESC=CCN(CC(=O)O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C14H18N2O4S/c1-2-9-16(10-14(17)18)12-5-7-13(8-6-12)21(19,20)15-11-3-4-11/h2,5-8,11,15H,1,3-4,9-10H2,(H,17,18)
InChIKeyGAZTVXMPGLJIOR-UHFFFAOYSA-N
XLogP1.20
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(cyclopropylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid
CID 119123974
2-[cyclopropylsulfamoyl(prop-2-enyl)amino]acetic acid
CID 114533578
2-[N-(carboxymethyl)-4-(ethylsulfamoyl)anilino]acetic acid
CID 63644748
N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630
2-[[3-(cyclopropylsulfamoyl)benzoyl]-ethylamino]acetic acid
CID 119206284
2-chloro-N-[4-(cyclopropylsulfamoyl)phenyl]acetamide
CID 43244647
3-[4-(piperidin-4-ylsulfamoyl)phenyl]prop-2-enoic acid
CID 76899841
N-[4-(cyclopropylsulfamoyl)phenyl]-4-hydroxybutanamide
CID 79191548
N-[4-(cyclohexylsulfamoyl)phenyl]prop-2-enamide
CID 67121777
3-[4-[(4-piperidin-4-ylphenyl)sulfonylamino]cyclohexyl]propanoic acid
CID 67844676
2-[4-(cyclopropylsulfamoyl)phenyl]pentanoic acid
CID 104571979
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylprop-2-enamide
CID 55917955

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylsulfamoyl)-N-prop-2-enylanilino]acetic acid?
The IUPAC name of 2-[4-(cyclopropylsulfamoyl)-N-prop-2-enylanilino]acetic acid (CID 79264080) is 2-[4-(cyclopropylsulfamoyl)-N-prop-2-enylanilino]acetic acid.
What is the SMILES notation for 2-[4-(cyclopropylsulfamoyl)-N-prop-2-enylanilino]acetic acid?
The canonical SMILES for 2-[4-(cyclopropylsulfamoyl)-N-prop-2-enylanilino]acetic acid is C=CCN(CC(=O)O)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 2-[4-(cyclopropylsulfamoyl)-N-prop-2-enylanilino]acetic acid?
The InChIKey is GAZTVXMPGLJIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-2-9-16(10-14(17)18)12-5-7-13(8-6-12)21(19,20)15-11-3-4-11/h2,5-8,11,15H,1,3-4,9-10H2,(H,17,18).
What are the key properties of 2-[4-(cyclopropylsulfamoyl)-N-prop-2-enylanilino]acetic acid?
2-[4-(cyclopropylsulfamoyl)-N-prop-2-enylanilino]acetic acid has a molecular weight of 310.38 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylsulfamoyl)-N-prop-2-enylanilino]acetic acid is sourced from PubChem (CID 79264080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).