N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-prop-2-enylindole-3-carboxamide

C22H22N4O3S — CID 60583682

IUPACN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-prop-2-enylindole-3-carboxamide
SMILESC=CCn1cc(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)c2ccccc21
InChIInChI=1S/C22H22N4O3S/c1-2-13-26-15-19(18-9-3-4-10-20(18)26)22(27)24-16-7-5-8-17(14-16)30(28,29)25-21-11-6-12-23-21/h2-5,7-10,14-15H,1,6,11-13H2,(H,23,25)(H,24,27)
InChIKeySTRKCSYXTOEUBQ-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.55
Rot. Bonds6

About N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-prop-2-enylindole-3-carboxamide

N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-prop-2-enylindole-3-carboxamide (PubChem CID 60583682) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-prop-2-enylindole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-prop-2-enylindole-3-carboxamide
PubChem CID60583682
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC NameN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-prop-2-enylindole-3-carboxamide
SMILESC=CCn1cc(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)c2ccccc21
InChIInChI=1S/C22H22N4O3S/c1-2-13-26-15-19(18-9-3-4-10-20(18)26)22(27)24-16-7-5-8-17(14-16)30(28,29)25-21-11-6-12-23-21/h2-5,7-10,14-15H,1,6,11-13H2,(H,23,25)(H,24,27)
InChIKeySTRKCSYXTOEUBQ-UHFFFAOYSA-N
XLogP3.55
TPSA92.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide
CID 4833277
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CID 31528464
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide
CID 3883463
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(methanesulfonamido)benzamide
CID 55350690
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methoxybenzamide
CID 9117099
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,3,4,5-tetrafluorobenzamide
CID 25162510
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylbut-2-enamide
CID 30877296
4-prop-2-enoxy-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 55577334
2-cyclohexylidene-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide
CID 60574245
1-cyclopropyl-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 17489909
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
CID 4790576
5-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methoxybenzamide
CID 26901878

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-prop-2-enylindole-3-carboxamide?
The IUPAC name of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-prop-2-enylindole-3-carboxamide (CID 60583682) is N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-prop-2-enylindole-3-carboxamide.
What is the SMILES notation for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-prop-2-enylindole-3-carboxamide?
The canonical SMILES for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-prop-2-enylindole-3-carboxamide is C=CCn1cc(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)c2ccccc21.
What is the InChIKey of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-prop-2-enylindole-3-carboxamide?
The InChIKey is STRKCSYXTOEUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-2-13-26-15-19(18-9-3-4-10-20(18)26)22(27)24-16-7-5-8-17(14-16)30(28,29)25-21-11-6-12-23-21/h2-5,7-10,14-15H,1,6,11-13H2,(H,23,25)(H,24,27).
What are the key properties of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-prop-2-enylindole-3-carboxamide?
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-prop-2-enylindole-3-carboxamide has a molecular weight of 422.51 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-prop-2-enylindole-3-carboxamide is sourced from PubChem (CID 60583682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).