1-(3-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide

C24H29N3O4S — CID 17120734

IUPAC1-(3-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCCC(C)C4)cc3)CC2=O)c1
InChIInChI=1S/C24H29N3O4S/c1-17-5-3-7-21(13-17)27-16-19(14-23(27)28)24(29)25-20-8-10-22(11-9-20)32(30,31)26-12-4-6-18(2)15-26/h3,5,7-11,13,18-19H,4,6,12,14-16H2,1-2H3,(H,25,29)
InChIKeyQEGFWEHYVLVLTL-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.41
Rot. Bonds5

About 1-(3-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide

1-(3-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 17120734) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID17120734
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name1-(3-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCCC(C)C4)cc3)CC2=O)c1
InChIInChI=1S/C24H29N3O4S/c1-17-5-3-7-21(13-17)27-16-19(14-23(27)28)24(29)25-20-8-10-22(11-9-20)32(30,31)26-12-4-6-18(2)15-26/h3,5,7-11,13,18-19H,4,6,12,14-16H2,1-2H3,(H,25,29)
InChIKeyQEGFWEHYVLVLTL-UHFFFAOYSA-N
XLogP3.41
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 26919598
1-(3-methoxyphenyl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 43053304
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 40964173
1-(3-methylphenyl)-5-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17120650
4-[[(3S)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9005077
N-(3-methylphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17321883
1-butyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 17082688
(3S)-N-(3,5-dimethylphenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017598
(3R)-N-(4-hydroxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 51720680
5-oxo-1-phenyl-N-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 17153935
1-(3-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113186011
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 41236330

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide (CID 17120734) is 1-(3-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide is Cc1cccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCCC(C)C4)cc3)CC2=O)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QEGFWEHYVLVLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-17-5-3-7-21(13-17)27-16-19(14-23(27)28)24(29)25-20-8-10-22(11-9-20)32(30,31)26-12-4-6-18(2)15-26/h3,5,7-11,13,18-19H,4,6,12,14-16H2,1-2H3,(H,25,29).
What are the key properties of 1-(3-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide?
1-(3-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 455.58 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17120734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).