1-ethyl-4-hydroxy-5-oxo-N-[3-(3-sulfamoylphenyl)propyl]-2H-pyrrole-3-carboxamide

C16H21N3O5S — CID 90314977

IUPAC1-ethyl-4-hydroxy-5-oxo-N-[3-(3-sulfamoylphenyl)propyl]-2H-pyrrole-3-carboxamide
SMILESCCN1CC(C(=O)NCCCc2cccc(S(N)(=O)=O)c2)=C(O)C1=O
InChIInChI=1S/C16H21N3O5S/c1-2-19-10-13(14(20)16(19)22)15(21)18-8-4-6-11-5-3-7-12(9-11)25(17,23)24/h3,5,7,9,20H,2,4,6,8,10H2,1H3,(H,18,21)(H2,17,23,24)
InChIKeyFIVSPMFWIOZCHJ-UHFFFAOYSA-N
MW367.43 g/mol
LogP0.06
Rot. Bonds7

About 1-ethyl-4-hydroxy-5-oxo-N-[3-(3-sulfamoylphenyl)propyl]-2H-pyrrole-3-carboxamide

1-ethyl-4-hydroxy-5-oxo-N-[3-(3-sulfamoylphenyl)propyl]-2H-pyrrole-3-carboxamide (PubChem CID 90314977) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-5-oxo-N-[3-(3-sulfamoylphenyl)propyl]-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-5-oxo-N-[3-(3-sulfamoylphenyl)propyl]-2H-pyrrole-3-carboxamide
PubChem CID90314977
Molecular FormulaC16H21N3O5S
Molecular Weight367.43 g/mol
Exact Mass367.12
IUPAC Name1-ethyl-4-hydroxy-5-oxo-N-[3-(3-sulfamoylphenyl)propyl]-2H-pyrrole-3-carboxamide
SMILESCCN1CC(C(=O)NCCCc2cccc(S(N)(=O)=O)c2)=C(O)C1=O
InChIInChI=1S/C16H21N3O5S/c1-2-19-10-13(14(20)16(19)22)15(21)18-8-4-6-11-5-3-7-12(9-11)25(17,23)24/h3,5,7,9,20H,2,4,6,8,10H2,1H3,(H,18,21)(H2,17,23,24)
InChIKeyFIVSPMFWIOZCHJ-UHFFFAOYSA-N
XLogP0.06
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,4-dichlorophenyl)propyl]-1-[(2,6-difluorophenyl)methyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 89489324
N-[3-(3,4-dichlorophenyl)propyl]-1-[3-(diethylamino)propyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 89489429
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-1-[(2S)-2-phenylpropyl]-2H-pyrrole-3-carboxamide
CID 90302376
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-[3-(4-methylphenoxy)propyl]-5-oxo-2H-pyrrole-3-carboxamide
CID 90314727
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-1-(2-phenoxyethyl)-2H-pyrrole-3-carboxamide
CID 71515507
2-methoxy-N-(3-phenylpropyl)-5-sulfamoylbenzamide
CID 4796456
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-[2-[4-(1-hydroxyethenyl)phenyl]ethyl]-5-oxo-2H-pyrrole-3-carboxamide
CID 90306376
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-5-oxo-1-phenyl-2H-pyrrole-3-carboxamide
CID 89489395
2-methyl-1-(3-phenylpropyl)-3-[(3-sulfamoylphenyl)methyl]guanidine
CID 111199024
N-[4-(3,4-dichlorophenyl)butan-2-yl]-1-ethyl-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
CID 86728184
methyl N-[3-(3-hydroxyphenyl)propyl]carbamate
CID 110667269
3-pyrrol-1-yl-N-[3-(4-sulfamoylphenyl)propyl]benzamide
CID 110310749

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-5-oxo-N-[3-(3-sulfamoylphenyl)propyl]-2H-pyrrole-3-carboxamide?
The IUPAC name of 1-ethyl-4-hydroxy-5-oxo-N-[3-(3-sulfamoylphenyl)propyl]-2H-pyrrole-3-carboxamide (CID 90314977) is 1-ethyl-4-hydroxy-5-oxo-N-[3-(3-sulfamoylphenyl)propyl]-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-hydroxy-5-oxo-N-[3-(3-sulfamoylphenyl)propyl]-2H-pyrrole-3-carboxamide?
The canonical SMILES for 1-ethyl-4-hydroxy-5-oxo-N-[3-(3-sulfamoylphenyl)propyl]-2H-pyrrole-3-carboxamide is CCN1CC(C(=O)NCCCc2cccc(S(N)(=O)=O)c2)=C(O)C1=O.
What is the InChIKey of 1-ethyl-4-hydroxy-5-oxo-N-[3-(3-sulfamoylphenyl)propyl]-2H-pyrrole-3-carboxamide?
The InChIKey is FIVSPMFWIOZCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5S/c1-2-19-10-13(14(20)16(19)22)15(21)18-8-4-6-11-5-3-7-12(9-11)25(17,23)24/h3,5,7,9,20H,2,4,6,8,10H2,1H3,(H,18,21)(H2,17,23,24).
What are the key properties of 1-ethyl-4-hydroxy-5-oxo-N-[3-(3-sulfamoylphenyl)propyl]-2H-pyrrole-3-carboxamide?
1-ethyl-4-hydroxy-5-oxo-N-[3-(3-sulfamoylphenyl)propyl]-2H-pyrrole-3-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 0.06, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-5-oxo-N-[3-(3-sulfamoylphenyl)propyl]-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 90314977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).