N-methyl-N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide

C24H31N3O4S — CID 35677124

IUPACN-methyl-N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CN(C)C(=O)c3ccccc3)CC2)c1C
InChIInChI=1S/C24H31N3O4S/c1-17-15-18(2)20(4)23(19(17)3)32(30,31)27-13-11-26(12-14-27)22(28)16-25(5)24(29)21-9-7-6-8-10-21/h6-10,15H,11-14,16H2,1-5H3
InChIKeyICTNLAPZGXPQGE-UHFFFAOYSA-N
MW457.60 g/mol
LogP2.53
Rot. Bonds5

About N-methyl-N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide

N-methyl-N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide (PubChem CID 35677124) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
PubChem CID35677124
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC NameN-methyl-N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CN(C)C(=O)c3ccccc3)CC2)c1C
InChIInChI=1S/C24H31N3O4S/c1-17-15-18(2)20(4)23(19(17)3)32(30,31)27-13-11-26(12-14-27)22(28)16-25(5)24(29)21-9-7-6-8-10-21/h6-10,15H,11-14,16H2,1-5H3
InChIKeyICTNLAPZGXPQGE-UHFFFAOYSA-N
XLogP2.53
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]-2-phenylacetamide
CID 38073776
N-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butan-2-yl]benzamide
CID 46689755
2-amino-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 119265641
N-benzyl-N-[(4-bromophenyl)methyl]-2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 166347847
(4-methylphenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2674216
N-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylbenzamide
CID 55567018
N-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 35560039
pyridin-3-yl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496594
2-[[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]-methylamino]acetic acid
CID 119346189
4-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethoxy]benzamide
CID 55403236
2-[[4-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]-methylamino]acetic acid
CID 119172373
1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 166405047

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide (CID 35677124) is N-methyl-N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide is Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CN(C)C(=O)c3ccccc3)CC2)c1C.
What is the InChIKey of N-methyl-N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide?
The InChIKey is ICTNLAPZGXPQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-17-15-18(2)20(4)23(19(17)3)32(30,31)27-13-11-26(12-14-27)22(28)16-25(5)24(29)21-9-7-6-8-10-21/h6-10,15H,11-14,16H2,1-5H3.
What are the key properties of N-methyl-N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide?
N-methyl-N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide has a molecular weight of 457.60 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 35677124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).