N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide

C23H30N4O4S — CID 27186213

IUPACN-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c(C)c1
InChIInChI=1S/C23H30N4O4S/c1-16-5-8-21(19(4)13-16)24-23(29)25-22(28)15-26-9-11-27(12-10-26)32(30,31)20-7-6-17(2)18(3)14-20/h5-8,13-14H,9-12,15H2,1-4H3,(H2,24,25,28,29)
InChIKeyMJABANUSPCNLTQ-UHFFFAOYSA-N
MW458.58 g/mol
LogP2.57
Rot. Bonds5

About N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide

N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 27186213) has the molecular formula C23H30N4O4S and a molecular weight of 458.58 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID27186213
Molecular FormulaC23H30N4O4S
Molecular Weight458.58 g/mol
Exact Mass458.20
IUPAC NameN-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c(C)c1
InChIInChI=1S/C23H30N4O4S/c1-16-5-8-21(19(4)13-16)24-23(29)25-22(28)15-26-9-11-27(12-10-26)32(30,31)20-7-6-17(2)18(3)14-20/h5-8,13-14H,9-12,15H2,1-4H3,(H2,24,25,28,29)
InChIKeyMJABANUSPCNLTQ-UHFFFAOYSA-N
XLogP2.57
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 8758014
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propylcarbamoyl)acetamide
CID 8758053
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 8758035
ethyl N-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
CID 8758031
N-(4-bromo-2-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 27174526
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 9362056
N-cyclopropyl-2-[4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 9438309
ethyl 4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazine-1-carboxylate
CID 8932030
N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 18083622
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide
CID 86928300
N-[4-(dimethylamino)-2-methylphenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 60513950
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 8591190

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide (CID 27186213) is N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide is Cc1ccc(NC(=O)NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is MJABANUSPCNLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4S/c1-16-5-8-21(19(4)13-16)24-23(29)25-22(28)15-26-9-11-27(12-10-26)32(30,31)20-7-6-17(2)18(3)14-20/h5-8,13-14H,9-12,15H2,1-4H3,(H2,24,25,28,29).
What are the key properties of N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide?
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 458.58 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 27186213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).