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

C19H26N4O3S — CID 19614574

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCCn1nc(C)c(CN(C)S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1C
InChIInChI=1S/C19H26N4O3S/c1-5-23-15(3)18(14(2)20-23)13-21(4)27(25,26)17-10-8-16(9-11-17)22-12-6-7-19(22)24/h8-11H,5-7,12-13H2,1-4H3
InChIKeyQXTNCWRQWBNYFT-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.47
Rot. Bonds6

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

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 19614574) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID19614574
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCCn1nc(C)c(CN(C)S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1C
InChIInChI=1S/C19H26N4O3S/c1-5-23-15(3)18(14(2)20-23)13-21(4)27(25,26)17-10-8-16(9-11-17)22-12-6-7-19(22)24/h8-11H,5-7,12-13H2,1-4H3
InChIKeyQXTNCWRQWBNYFT-UHFFFAOYSA-N
XLogP2.47
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 19614551
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-(furan-2-ylmethyl)-N-methyl-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110733738
4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3164045
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 100579283
N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 29089522
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
N-[(3,5-dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-methyl-4-propan-2-yloxybenzenesulfonamide
CID 153326488
4-(2-oxopyrrolidin-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
CID 24511008
4-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 18192071
1-[4-(hydroxymethylsulfonyl)phenyl]pyrrolidin-2-one
CID 736863

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 19614574) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is CCn1nc(C)c(CN(C)S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is QXTNCWRQWBNYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-5-23-15(3)18(14(2)20-23)13-21(4)27(25,26)17-10-8-16(9-11-17)22-12-6-7-19(22)24/h8-11H,5-7,12-13H2,1-4H3.
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 19614574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).