2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(1-methylpyrrol-2-yl)propanamide

C23H31N5O5S — CID 644800

IUPAC2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(1-methylpyrrol-2-yl)propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)C(Cc3cccn3C)NC(C)=O)CC2)cc1
InChIInChI=1S/C23H31N5O5S/c1-16(29)24-18-6-8-21(9-7-18)34(32,33)28-13-10-19(11-14-28)26-23(31)22(25-17(2)30)15-20-5-4-12-27(20)3/h4-9,12,19,22H,10-11,13-15H2,1-3H3,(H,24,29)(H,25,30)(H,26,31)
InChIKeyFOPDZGNJZSCTIS-UHFFFAOYSA-N
MW489.60 g/mol
LogP1.00
Rot. Bonds8

About 2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(1-methylpyrrol-2-yl)propanamide

2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(1-methylpyrrol-2-yl)propanamide (PubChem CID 644800) has the molecular formula C23H31N5O5S and a molecular weight of 489.60 g/mol. Its IUPAC name is 2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(1-methylpyrrol-2-yl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(1-methylpyrrol-2-yl)propanamide
PubChem CID644800
Molecular FormulaC23H31N5O5S
Molecular Weight489.60 g/mol
Exact Mass489.20
IUPAC Name2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(1-methylpyrrol-2-yl)propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)C(Cc3cccn3C)NC(C)=O)CC2)cc1
InChIInChI=1S/C23H31N5O5S/c1-16(29)24-18-6-8-21(9-7-18)34(32,33)28-13-10-19(11-14-28)26-23(31)22(25-17(2)30)15-20-5-4-12-27(20)3/h4-9,12,19,22H,10-11,13-15H2,1-3H3,(H,24,29)(H,25,30)(H,26,31)
InChIKeyFOPDZGNJZSCTIS-UHFFFAOYSA-N
XLogP1.00
TPSA129.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(pyridin-2-ylmethylsulfamoyl)phenyl]acetamide
CID 720105
Sulfonamide deriv., 7g
CID 44520903
3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide
CID 2228455
2-(benzenesulfonamido)-N-(2-pyridin-2-ylethyl)propanamide
CID 4878270
N-{4-[(methylamino)sulfonyl]phenyl}-2-pyridinecarboxamide
CID 701247
(S)-N-(1-((4-(N-(tert-Butyl)sulfamoyl)phenyl)amino)-1-oxo-3-phenylpropan-2-yl)picolinamide
CID 146014130
(S)-N-(1-((4-(N-(tert-Butyl)sulfamoyl)phenyl)amino)-3-cyclohexyl-1-oxopropan-2-yl)picolinamide
CID 146014348
4-(2-oxopyrrolidin-1-yl)-N-pyridin-3-ylbenzenesulfonamide
CID 776658
2-[(phenylsulfonyl)amino]-N-(2-pyridylmethyl)acetamide
CID 891903
N-[4-(propylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 1630803
2-(2,5-dioxopyrrolidin-1-yl)-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide
CID 2147412
N-[4-(acetylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 2568741

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(1-methylpyrrol-2-yl)propanamide?
The IUPAC name of 2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(1-methylpyrrol-2-yl)propanamide (CID 644800) is 2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(1-methylpyrrol-2-yl)propanamide.
What is the SMILES notation for 2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(1-methylpyrrol-2-yl)propanamide?
The canonical SMILES for 2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(1-methylpyrrol-2-yl)propanamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)C(Cc3cccn3C)NC(C)=O)CC2)cc1.
What is the InChIKey of 2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(1-methylpyrrol-2-yl)propanamide?
The InChIKey is FOPDZGNJZSCTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O5S/c1-16(29)24-18-6-8-21(9-7-18)34(32,33)28-13-10-19(11-14-28)26-23(31)22(25-17(2)30)15-20-5-4-12-27(20)3/h4-9,12,19,22H,10-11,13-15H2,1-3H3,(H,24,29)(H,25,30)(H,26,31).
What are the key properties of 2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(1-methylpyrrol-2-yl)propanamide?
2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(1-methylpyrrol-2-yl)propanamide has a molecular weight of 489.60 g/mol, XLogP of 1.00, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(1-methylpyrrol-2-yl)propanamide is sourced from PubChem (CID 644800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).