N-(2-acetylphenyl)-2-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]acetamide

C19H24N4O4S — CID 30704709

IUPACN-(2-acetylphenyl)-2-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccn(C)c2)CC1
InChIInChI=1S/C19H24N4O4S/c1-15(24)17-5-3-4-6-18(17)20-19(25)14-22-9-11-23(12-10-22)28(26,27)16-7-8-21(2)13-16/h3-8,13H,9-12,14H2,1-2H3,(H,20,25)
InChIKeyHBTRCVHEXOEWJL-UHFFFAOYSA-N
MW404.49 g/mol
LogP1.17
Rot. Bonds6

About N-(2-acetylphenyl)-2-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]acetamide

N-(2-acetylphenyl)-2-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 30704709) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]acetamide
PubChem CID30704709
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC NameN-(2-acetylphenyl)-2-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccn(C)c2)CC1
InChIInChI=1S/C19H24N4O4S/c1-15(24)17-5-3-4-6-18(17)20-19(25)14-22-9-11-23(12-10-22)28(26,27)16-7-8-21(2)13-16/h3-8,13H,9-12,14H2,1-2H3,(H,20,25)
InChIKeyHBTRCVHEXOEWJL-UHFFFAOYSA-N
XLogP1.17
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-acetylphenyl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 8902773
N-(2-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 7026017
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 55437029
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2655486
2-methyl-1-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]propan-2-ol
CID 63631193
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 8743992
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 9104805
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 3241108
N-(2-acetylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106672145
N-(2-acetylphenyl)-2-[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]acetamide
CID 122138586
N-(2-acetylphenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide
CID 47073375
1-[2-(2-acetylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119906608

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(2-acetylphenyl)-2-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]acetamide (CID 30704709) is N-(2-acetylphenyl)-2-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]acetamide is CC(=O)c1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccn(C)c2)CC1.
What is the InChIKey of N-(2-acetylphenyl)-2-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is HBTRCVHEXOEWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-15(24)17-5-3-4-6-18(17)20-19(25)14-22-9-11-23(12-10-22)28(26,27)16-7-8-21(2)13-16/h3-8,13H,9-12,14H2,1-2H3,(H,20,25).
What are the key properties of N-(2-acetylphenyl)-2-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]acetamide?
N-(2-acetylphenyl)-2-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 404.49 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 30704709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).