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

C20H24N4O3S — CID 17489909

IUPAC1-cyclopropyl-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)c(C)n1C1CC1
InChIInChI=1S/C20H24N4O3S/c1-13-11-18(14(2)24(13)16-8-9-16)20(25)22-15-5-3-6-17(12-15)28(26,27)23-19-7-4-10-21-19/h3,5-6,11-12,16H,4,7-10H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyJCQCUJGNJYNYLC-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.16
Rot. Bonds5

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

1-cyclopropyl-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 17489909) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 1-cyclopropyl-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide
PubChem CID17489909
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name1-cyclopropyl-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)c(C)n1C1CC1
InChIInChI=1S/C20H24N4O3S/c1-13-11-18(14(2)24(13)16-8-9-16)20(25)22-15-5-3-6-17(12-15)28(26,27)23-19-7-4-10-21-19/h3,5-6,11-12,16H,4,7-10H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyJCQCUJGNJYNYLC-UHFFFAOYSA-N
XLogP3.16
TPSA92.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 18208046
5-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methoxybenzamide
CID 26901878
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylbut-2-enamide
CID 30877296
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide
CID 4833277
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
CID 4790576
1-(4-chlorophenyl)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 39298461
4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3,5-dimethoxybenzamide
CID 17497520
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide
CID 3883463
1-cyclopropyl-2,5-dimethyl-N-(4-methylphenyl)pyrrole-3-carboxamide
CID 17471885

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide (CID 17489909) is 1-cyclopropyl-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)c(C)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is JCQCUJGNJYNYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-13-11-18(14(2)24(13)16-8-9-16)20(25)22-15-5-3-6-17(12-15)28(26,27)23-19-7-4-10-21-19/h3,5-6,11-12,16H,4,7-10H2,1-2H3,(H,21,23)(H,22,25).
What are the key properties of 1-cyclopropyl-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide?
1-cyclopropyl-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 17489909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).