4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-oxobutanamide

C24H30ClN3O6S — CID 4850947

IUPAC4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-oxobutanamide
SMILESCOc1ccc(CN(C)C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(OC)c1
InChIInChI=1S/C24H30ClN3O6S/c1-26(17-18-4-7-20(33-2)16-22(18)34-3)23(29)10-11-24(30)27-12-14-28(15-13-27)35(31,32)21-8-5-19(25)6-9-21/h4-9,16H,10-15,17H2,1-3H3
InChIKeyULPNBDGJCHDDJB-UHFFFAOYSA-N
MW524.04 g/mol
LogP2.63
Rot. Bonds9

About 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-oxobutanamide

4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-oxobutanamide (PubChem CID 4850947) has the molecular formula C24H30ClN3O6S and a molecular weight of 524.04 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-oxobutanamide.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-oxobutanamide
PubChem CID4850947
Molecular FormulaC24H30ClN3O6S
Molecular Weight524.04 g/mol
Exact Mass523.15
IUPAC Name4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-oxobutanamide
SMILESCOc1ccc(CN(C)C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(OC)c1
InChIInChI=1S/C24H30ClN3O6S/c1-26(17-18-4-7-20(33-2)16-22(18)34-3)23(29)10-11-24(30)27-12-14-28(15-13-27)35(31,32)21-8-5-19(25)6-9-21/h4-9,16H,10-15,17H2,1-3H3
InChIKeyULPNBDGJCHDDJB-UHFFFAOYSA-N
XLogP2.63
TPSA96.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.04
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-oxobutanamide with MolForge

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Related Compounds

[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 16523439
N-[bis(4-chlorophenyl)methyl]-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-methyl-4-oxobutanamide
CID 166348073
3-(4-chlorophenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 55704533
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 1072057
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26594501
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(7-methoxynaphthalen-2-yl)oxyethanone
CID 26216088
1-(4-chlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 1122407
2-(4-chlorophenyl)sulfanyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 112781383
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone
CID 27768699
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxy-2-methylanilino)ethanone
CID 56524614
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylphenoxy)propan-1-one
CID 9496035

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-oxobutanamide?
The IUPAC name of 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-oxobutanamide (CID 4850947) is 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-oxobutanamide.
What is the SMILES notation for 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-oxobutanamide?
The canonical SMILES for 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-oxobutanamide is COc1ccc(CN(C)C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(OC)c1.
What is the InChIKey of 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-oxobutanamide?
The InChIKey is ULPNBDGJCHDDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O6S/c1-26(17-18-4-7-20(33-2)16-22(18)34-3)23(29)10-11-24(30)27-12-14-28(15-13-27)35(31,32)21-8-5-19(25)6-9-21/h4-9,16H,10-15,17H2,1-3H3.
What are the key properties of 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-oxobutanamide?
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-oxobutanamide has a molecular weight of 524.04 g/mol, XLogP of 2.63, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-oxobutanamide is sourced from PubChem (CID 4850947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).