4-ethyl-3-methyl-5-oxo-N-[2-(4-pyrrol-1-ylsulfonylphenyl)ethyl]-2H-pyrrole-1-carboxamide

C20H23N3O4S — CID 166444899

IUPAC4-ethyl-3-methyl-5-oxo-N-[2-(4-pyrrol-1-ylsulfonylphenyl)ethyl]-2H-pyrrole-1-carboxamide
SMILESCCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)n3cccc3)cc2)C1=O
InChIInChI=1S/C20H23N3O4S/c1-3-18-15(2)14-23(19(18)24)20(25)21-11-10-16-6-8-17(9-7-16)28(26,27)22-12-4-5-13-22/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,21,25)
InChIKeyDJOUPPDCGLHNPQ-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.55
Rot. Bonds6

About 4-ethyl-3-methyl-5-oxo-N-[2-(4-pyrrol-1-ylsulfonylphenyl)ethyl]-2H-pyrrole-1-carboxamide

4-ethyl-3-methyl-5-oxo-N-[2-(4-pyrrol-1-ylsulfonylphenyl)ethyl]-2H-pyrrole-1-carboxamide (PubChem CID 166444899) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 4-ethyl-3-methyl-5-oxo-N-[2-(4-pyrrol-1-ylsulfonylphenyl)ethyl]-2H-pyrrole-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-3-methyl-5-oxo-N-[2-(4-pyrrol-1-ylsulfonylphenyl)ethyl]-2H-pyrrole-1-carboxamide
PubChem CID166444899
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name4-ethyl-3-methyl-5-oxo-N-[2-(4-pyrrol-1-ylsulfonylphenyl)ethyl]-2H-pyrrole-1-carboxamide
SMILESCCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)n3cccc3)cc2)C1=O
InChIInChI=1S/C20H23N3O4S/c1-3-18-15(2)14-23(19(18)24)20(25)21-11-10-16-6-8-17(9-7-16)28(26,27)22-12-4-5-13-22/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,21,25)
InChIKeyDJOUPPDCGLHNPQ-UHFFFAOYSA-N
XLogP2.55
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-3-methyl-N-[2-[4-[methyl-[(4-methylcyclohexyl)carbamoyl]sulfamoyl]phenyl]ethyl]-5-oxo-2H-pyrrole-1-carboxamide
CID 70809341
4-ethyl-N-[2-[4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)phenyl]ethyl]-3-methyl-5-oxo-2H-pyrrole-1-carboxamide
CID 122499873
4-ethyl-3-methyl-5-oxo-N-[2-(2-sulfamoylphenyl)ethyl]-2H-pyrrole-1-carboxamide
CID 163202805
methyl 4-[[4-[2-[(4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carbonyl)amino]ethyl]phenyl]sulfonylcarbamoylamino]cyclohexane-1-carboxylate
CID 176736344
[4-[[4-[2-[(4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carbonyl)amino]ethyl]phenyl]sulfonylcarbamoylamino]cyclohexyl]methyl N-cyclopropylcarbamate
CID 176736331
ethyl N-[4-[2-[[3-methyl-5-oxo-4-(1,1,2,2,2-pentadeuterioethyl)-2H-pyrrole-1-carbonyl]amino]ethyl]phenyl]sulfonylcarbamate
CID 46781538
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[[4-[2-[(4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carbonyl)amino]ethyl]phenyl]sulfonyl-[(4-methylcyclohexyl)carbamoyl]amino]-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 163918119
N-[2-[4-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexyl]carbamoylsulfamoyl]phenyl]ethyl]-4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxamide
CID 176736322
4-ethyl-3-methyl-N-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-5-oxo-2H-pyrrole-1-carboxamide;4-methylcyclohexan-1-amine;methyl N-[4-[2-[(4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carbonyl)amino]ethyl]phenyl]sulfonylcarbamate;triiodovanadium;hydroiodide
CID 161482197
6-methyl-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-1H-isoindole-2-carboxamide
CID 21162372
4-[2-[[(S)-(4-ethyl-3-methyl-5-oxo-2H-pyrrol-1-yl)-hydroxymethyl]amino]ethyl]benzenesulfonamide
CID 9291909
4-ethyl-N-[2-[2-fluoro-4-[[(4-methylcyclohexyl)carbamoylamino]-methylidene-oxo-λ6-sulfanyl]phenyl]ethyl]-3-methyl-5-oxo-2H-pyrrole-1-carboxamide
CID 87413551

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methyl-5-oxo-N-[2-(4-pyrrol-1-ylsulfonylphenyl)ethyl]-2H-pyrrole-1-carboxamide?
The IUPAC name of 4-ethyl-3-methyl-5-oxo-N-[2-(4-pyrrol-1-ylsulfonylphenyl)ethyl]-2H-pyrrole-1-carboxamide (CID 166444899) is 4-ethyl-3-methyl-5-oxo-N-[2-(4-pyrrol-1-ylsulfonylphenyl)ethyl]-2H-pyrrole-1-carboxamide.
What is the SMILES notation for 4-ethyl-3-methyl-5-oxo-N-[2-(4-pyrrol-1-ylsulfonylphenyl)ethyl]-2H-pyrrole-1-carboxamide?
The canonical SMILES for 4-ethyl-3-methyl-5-oxo-N-[2-(4-pyrrol-1-ylsulfonylphenyl)ethyl]-2H-pyrrole-1-carboxamide is CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)n3cccc3)cc2)C1=O.
What is the InChIKey of 4-ethyl-3-methyl-5-oxo-N-[2-(4-pyrrol-1-ylsulfonylphenyl)ethyl]-2H-pyrrole-1-carboxamide?
The InChIKey is DJOUPPDCGLHNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-3-18-15(2)14-23(19(18)24)20(25)21-11-10-16-6-8-17(9-7-16)28(26,27)22-12-4-5-13-22/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,21,25).
What are the key properties of 4-ethyl-3-methyl-5-oxo-N-[2-(4-pyrrol-1-ylsulfonylphenyl)ethyl]-2H-pyrrole-1-carboxamide?
4-ethyl-3-methyl-5-oxo-N-[2-(4-pyrrol-1-ylsulfonylphenyl)ethyl]-2H-pyrrole-1-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyl-5-oxo-N-[2-(4-pyrrol-1-ylsulfonylphenyl)ethyl]-2H-pyrrole-1-carboxamide is sourced from PubChem (CID 166444899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).