1-(3-ethylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide

C24H30N4O4S — CID 43053907

IUPAC1-(3-ethylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)CC2=O)c1
InChIInChI=1S/C24H30N4O4S/c1-3-18-5-4-6-21(15-18)28-17-19(16-23(28)29)24(30)25-20-7-9-22(10-8-20)33(31,32)27-13-11-26(2)12-14-27/h4-10,15,19H,3,11-14,16-17H2,1-2H3,(H,25,30)
InChIKeyVNALHANFVDAVIE-UHFFFAOYSA-N
MW470.60 g/mol
LogP2.18
Rot. Bonds6

About 1-(3-ethylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide

1-(3-ethylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 43053907) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-ethylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID43053907
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC Name1-(3-ethylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)CC2=O)c1
InChIInChI=1S/C24H30N4O4S/c1-3-18-5-4-6-21(15-18)28-17-19(16-23(28)29)24(30)25-20-7-9-22(10-8-20)33(31,32)27-13-11-26(2)12-14-27/h4-10,15,19H,3,11-14,16-17H2,1-2H3,(H,25,30)
InChIKeyVNALHANFVDAVIE-UHFFFAOYSA-N
XLogP2.18
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 43053304
methyl 4-[[1-(3-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 42946684
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-(3-ethylphenyl)pyrrolidin-2-one
CID 42946969
N-(3-acetamidophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946699
1-(2,3-dihydro-1H-inden-5-yl)-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 43059706
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 40964173
(3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727083
N-(3-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46687180
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946595
1-(3-bromophenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113190290
N-(3-cyanophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946600
1-(3-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 17120734

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-ethylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide (CID 43053907) is 1-(3-ethylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-ethylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-ethylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide is CCc1cccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)CC2=O)c1.
What is the InChIKey of 1-(3-ethylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VNALHANFVDAVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-3-18-5-4-6-21(15-18)28-17-19(16-23(28)29)24(30)25-20-7-9-22(10-8-20)33(31,32)27-13-11-26(2)12-14-27/h4-10,15,19H,3,11-14,16-17H2,1-2H3,(H,25,30).
What are the key properties of 1-(3-ethylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
1-(3-ethylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 470.60 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 43053907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).