N-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C19H26N4O5S — CID 42654409

IUPACN-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)CCNC(=O)C2CC(=O)N(c3ccccc3)C2)CC1
InChIInChI=1S/C19H26N4O5S/c1-29(27,28)22-11-9-21(10-12-22)17(24)7-8-20-19(26)15-13-18(25)23(14-15)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3,(H,20,26)
InChIKeyNQQDEJSFHRLLSE-UHFFFAOYSA-N
MW422.51 g/mol
LogP-0.35
Rot. Bonds6

About N-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 42654409) has the molecular formula C19H26N4O5S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID42654409
Molecular FormulaC19H26N4O5S
Molecular Weight422.51 g/mol
Exact Mass422.16
IUPAC NameN-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCS(=O)(=O)N1CCN(C(=O)CCNC(=O)C2CC(=O)N(c3ccccc3)C2)CC1
InChIInChI=1S/C19H26N4O5S/c1-29(27,28)22-11-9-21(10-12-22)17(24)7-8-20-19(26)15-13-18(25)23(14-15)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3,(H,20,26)
InChIKeyNQQDEJSFHRLLSE-UHFFFAOYSA-N
XLogP-0.35
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39037161
N-[2-(methanesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42651861
1-(4-ethylphenyl)-5-oxo-N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 55802546
(3S)-N-(2-acetamidoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94094414
(3R)-1-(4-methoxyphenyl)-5-oxo-N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]pyrrolidine-3-carboxamide
CID 40775783
N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 44962602
(3R)-N-[2,2-dimethyl-3-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40736715
N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 90489047
(3R)-N-[2-(benzenesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 29132221
(3R)-1-(4-methoxyphenyl)-5-oxo-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
CID 39038553
N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521
1-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxamide
CID 39336068

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 42654409) is N-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is CS(=O)(=O)N1CCN(C(=O)CCNC(=O)C2CC(=O)N(c3ccccc3)C2)CC1.
What is the InChIKey of N-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is NQQDEJSFHRLLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O5S/c1-29(27,28)22-11-9-21(10-12-22)17(24)7-8-20-19(26)15-13-18(25)23(14-15)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3,(H,20,26).
What are the key properties of N-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 422.51 g/mol, XLogP of -0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 42654409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).