1-(3,4-dimethylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide

C24H31N3O4S2 — CID 53112344

IUPAC1-(3,4-dimethylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCc3ccc(S(=O)(=O)N4CCC(C)CC4)s3)CC2=O)cc1C
InChIInChI=1S/C24H31N3O4S2/c1-16-8-10-26(11-9-16)33(30,31)23-7-6-21(32-23)14-25-24(29)19-13-22(28)27(15-19)20-5-4-17(2)18(3)12-20/h4-7,12,16,19H,8-11,13-15H2,1-3H3,(H,25,29)
InChIKeyRMBHFDDHRWYPCM-UHFFFAOYSA-N
MW489.66 g/mol
LogP3.45
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide

1-(3,4-dimethylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 53112344) has the molecular formula C24H31N3O4S2 and a molecular weight of 489.66 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID53112344
Molecular FormulaC24H31N3O4S2
Molecular Weight489.66 g/mol
Exact Mass489.18
IUPAC Name1-(3,4-dimethylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCc3ccc(S(=O)(=O)N4CCC(C)CC4)s3)CC2=O)cc1C
InChIInChI=1S/C24H31N3O4S2/c1-16-8-10-26(11-9-16)33(30,31)23-7-6-21(32-23)14-25-24(29)19-13-22(28)27(15-19)20-5-4-17(2)18(3)12-20/h4-7,12,16,19H,8-11,13-15H2,1-3H3,(H,25,29)
InChIKeyRMBHFDDHRWYPCM-UHFFFAOYSA-N
XLogP3.45
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.66
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(3-chlorophenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 95086819
(3R)-N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95086824
(3S)-N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95086825
1-(4-methylphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46384839
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 848285
(3R)-1-(3-chlorophenyl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 95086836
(3S)-N-(cyanomethyl)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 9402641
(3R)-N-[(4-chlorophenyl)methyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393635
1-(3,4-dimethylphenyl)-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 16866705
N-(cyanomethyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082306
2-(4-methylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide
CID 53112401
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 40964173

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 53112344) is 1-(3,4-dimethylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NCc3ccc(S(=O)(=O)N4CCC(C)CC4)s3)CC2=O)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RMBHFDDHRWYPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S2/c1-16-8-10-26(11-9-16)33(30,31)23-7-6-21(32-23)14-25-24(29)19-13-22(28)27(15-19)20-5-4-17(2)18(3)12-20/h4-7,12,16,19H,8-11,13-15H2,1-3H3,(H,25,29).
What are the key properties of 1-(3,4-dimethylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
1-(3,4-dimethylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 489.66 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-[[5-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 53112344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).