N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide

C21H31N5O3S — CID 96508325

IUPACN-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide
SMILESCC(C)NS(=O)(=O)c1c[nH]c(C(=O)NC[C@@H](C)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H31N5O3S/c1-16(2)24-30(28,29)19-13-20(22-15-19)21(27)23-14-17(3)25-9-11-26(12-10-25)18-7-5-4-6-8-18/h4-8,13,15-17,22,24H,9-12,14H2,1-3H3,(H,23,27)/t17-/m1/s1
InChIKeyWEDOYSWSBAYALK-QGZVFWFLSA-N
MW433.58 g/mol
LogP1.64
Rot. Bonds8

About N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide

N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide (PubChem CID 96508325) has the molecular formula C21H31N5O3S and a molecular weight of 433.58 g/mol. Its IUPAC name is N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide
PubChem CID96508325
Molecular FormulaC21H31N5O3S
Molecular Weight433.58 g/mol
Exact Mass433.21
IUPAC NameN-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide
SMILESCC(C)NS(=O)(=O)c1c[nH]c(C(=O)NC[C@@H](C)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H31N5O3S/c1-16(2)24-30(28,29)19-13-20(22-15-19)21(27)23-14-17(3)25-9-11-26(12-10-25)18-7-5-4-6-8-18/h4-8,13,15-17,22,24H,9-12,14H2,1-3H3,(H,23,27)/t17-/m1/s1
InChIKeyWEDOYSWSBAYALK-QGZVFWFLSA-N
XLogP1.64
TPSA97.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide with MolForge

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Related Compounds

1-oxido-N-[2-(4-phenylpiperazin-1-yl)propyl]pyridin-1-ium-2-carboxamide
CID 60511961
4-(2-piperidin-1-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 61009733
2,4-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 55694971
4-bromo-N-[2-(4-phenylpiperazin-1-yl)propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564755
2-bromo-4-fluoro-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 55694970
1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea
CID 110894090
2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 119902072
N-[2-(4-phenylpiperazin-1-yl)propyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167795317
4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 120566019
1,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazole-4-carboxamide
CID 86989887
N-[2-[[2-(4-phenylpiperazin-1-yl)propylamino]methyl]phenyl]benzenesulfonamide
CID 69154190
3,3,5,5-tetramethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
CID 167961771

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide (CID 96508325) is N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide is CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NC[C@@H](C)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide?
The InChIKey is WEDOYSWSBAYALK-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H31N5O3S/c1-16(2)24-30(28,29)19-13-20(22-15-19)21(27)23-14-17(3)25-9-11-26(12-10-25)18-7-5-4-6-8-18/h4-8,13,15-17,22,24H,9-12,14H2,1-3H3,(H,23,27)/t17-/m1/s1.
What are the key properties of N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide?
N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide has a molecular weight of 433.58 g/mol, XLogP of 1.64, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 96508325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).