N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide

C18H24N4O3S — CID 19614551

IUPACN-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1nn(C)c(C)c1CN(C)S(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H24N4O3S/c1-13-17(14(2)21(4)19-13)12-20(3)26(24,25)16-9-7-15(8-10-16)22-11-5-6-18(22)23/h7-10H,5-6,11-12H2,1-4H3
InChIKeyUSQCILUWQRRTBB-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.98
Rot. Bonds5

About N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide

N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 19614551) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID19614551
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1nn(C)c(C)c1CN(C)S(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H24N4O3S/c1-13-17(14(2)21(4)19-13)12-20(3)26(24,25)16-9-7-15(8-10-16)22-11-5-6-18(22)23/h7-10H,5-6,11-12H2,1-4H3
InChIKeyUSQCILUWQRRTBB-UHFFFAOYSA-N
XLogP1.98
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide with MolForge

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Related Compounds

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 19614574
4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3164045
N,3,4-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22771503
4-[(2R)-butan-2-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 26011051
N-(furan-2-ylmethyl)-N-methyl-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110733738
N-[(2-ethoxyphenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 94605999
N,N-dibutyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 2249244
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 100579283
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 17398702
4-(2-oxopyrrolidin-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
CID 24511008
4-ethoxy-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 46353522

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide (CID 19614551) is N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide is Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is USQCILUWQRRTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-13-17(14(2)21(4)19-13)12-20(3)26(24,25)16-9-7-15(8-10-16)22-11-5-6-18(22)23/h7-10H,5-6,11-12H2,1-4H3.
What are the key properties of N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide?
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 19614551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).